Encyclopedia of Crystallographic Prototypes

Prototype Index

Hash Prototype # Species # Atoms Pearson Symbol Struk. Design. AFLOW Prototype Space Group Symbol Space Group Number Notes
3BJR AgAsMg 3 3 cF12 $C1_{b}$ ABC_cF12_216_a_c_b-001 $F\overline{4}3m$ 216 $C1_{b}$, Half-Heusler
3VWQ AgAsS$_{2}$ 3 24 hR24 ABC2_hR24_148_f_f_2f-001 $R\overline{3}$ 148 Trechmannite
69FP AgAsS$_{2}$ 3 48 mC96 ABC2_mC96_15_2e2f_3f_6f-001 $C2/c$ 15 Smithite
HRK9 Ag$_{3}$AsS$_{3}$ 3 28 mC56 A3BC3_mC56_15_3f_f_3f-001 $C2/c$ 15 Xanthoconite
TXGA Ag$_{3}$AsS$_{3}$ 3 14 hR14 A3BC3_hR14_161_b_a_b-001 $R3c$ 161 Proustite
ALSR AgAuTe$_{2}$ 3 8 mP8 ABC2_mP8_10_ac_eh_mn-001 $P2/m$ 10 Muthmannite
5BWB AgAuTe$_{4}$ 3 12 mP12 $E1_{b}$ ABC4_mP12_13_e_a_2g-001 $P2/c$ 13 $E1_{b}$, Sylvanite
3JDV Ag$_{3}$AuTe$_{2}$ 3 24 cI48 A3BC2_cI48_214_f_a_e-001 $I4_132$ 214 Petzite
1TV2 AgBiSe$_{2}$ 3 12 hP12 ABC2_hP12_164_ad_bd_c2d-001 $P\overline{3}m1$ 164
L9Y6 AgC$_{8}$H$_{4}$N$_{5}$ 4 72 oP72 AB8C4D5_oP72_62_c_4c2d_2d_3cd-001 $Pnma$ 62
JN9W AgC$_{10}$H$_{4}$N$_{4}$ 4 152 mP152 AB10C4D4_mP152_14_2e_20e_8e_8e-001 $P2_1/c$ 14 Ag(tcm)(phz)$_{1/2}$
JLGL AgC$_{2}$KN$_{2}$ 4 36 hP36 $F5_{10}$ AB2CD2_hP36_163_h_i_bf_i-001 $P\overline{3}1c$ 163 $F5_{10}$
H0D0 AgCKO$_{3}$ 4 24 oI48 ABCD3_oI48_73_d_c_c_cf-001 $Ibca$ 73
77VH AgC$_{4}$N$_{3}$ 3 16 oI32 AB4C3_oI32_46_b_2bc_bc-001 $Ima2$ 46 Room Temperature
AS99 AgC$_{4}$N$_{3}$ 3 16 oI32 AB4C3_oI32_46_b_2bc_bc-002 $Ima2$ 46 100 K
PMU3 Ag$_{7}$Ca$_{2}$ 2 18 oC36 A7B2_oC36_63_cgh_f-001 $Cmcm$ 63
QSJ3 Ag$_{4}$Ca$_{10}$Mg$_{2}$O$_{34}$(OH)$_{4}$Si$_{9}$ 6 252 tP252 $S2_{3}$ A4B10C2D34E4F9_tP252_126_k_ce2k_f_h8k_k_d2k-001 $P4/nnc$ 126 $S2_{3}$, Vesuvianite
RAQG AgClO$_{2}$ 3 16 oP16 ABC2_oP16_54_c_c_f-001 $Pcca$ 54
EW36 AgCoN$_{4}$(NH$_{3}$)$_{2}$O$_{8}$ 5 32 tP32 $J1_{9}$ ABC4D2E8_tP32_126_a_b_h_e_k-001 $P4/nnc$ 126 $J1_{9}$
NDG5 AgCrP$_{2}$S$_{6}$ 4 20 mP20 ABC2D6_mP20_13_e_e_g_3g-001 $P2/c$ 13
F3J5 AgF$_{2}$ 2 12 oP12 AB2_oP12_61_a_c-002 $Pbca$ 61
U3ZM AgF$_{6}$U 3 16 tP16 AB6C_tP16_132_b_io_c-001 $P4_2/mcm$ 132
V9AH Ag$_{51}$Gd$_{14}$ 2 68 hP68 A27B7_hP68_175_chjk3l_ejk-001 $P6/m$ 175
PABV Ag$_{2}$H$_{12}$N$_{4}$O$_{4}$S 5 46 tP46 $H4_{17}$ A2B12C4D4E_tP46_114_d_3e_e_e_a-001 $P\overline{4}2_1c$ 114 $H4_{17}$
34W5 Ag$_{2}$HgI$_{4}$ 3 7 tP7 $E3_{1}$ A2BC4_tP7_111_e_b_n-001 $P\overline{4}2m$ 111 $E3_{1}$, β-Ag$_{2}$HgI$_{4}$
QV5K AgI 2 22 cI44 $B23$ A21B_cI44_229_bdh_a-001 $Im\overline{3}m$ 229 $B23$
YGSU Ag$_{3}$IS 3 5 hR5 A3BC_hR5_146_b_a_a-001 $R3$ 146 γ-Ag$_{3}$SI
ZSJ2 Ag$_{3}$Ir$_{2}$LiO$_{6}$ 4 12 mC24 A3B2CD6_mC24_12_ag_h_c_ij-001 $C2/m$ 12
Z6KJ AgK$_{2}$S$_{4}$Sb 4 32 oP32 AB2C4D_oP32_34_ab_abc_4c_c-001 $Pnn2$ 34
VCTW AgLaOS 4 8 tP8 ABCD_tP8_129_b_c_a_c-001 $P4/nmm$ 129
8H0D AgMnO$_{4}$ 3 24 mP24 $H0_{9}$ ABC4_mP24_14_e_e_4e-001 $P2_1/c$ 14 $H0_{9}$, Silver Permangnate
VTNW AgNO$_{2}$ 3 4 oI8 $F5_{12}$ ABC2_oI8_44_a_a_c-002 $Imm2$ 44 $F5_{12}$, Silver Nitrite
X02L Ag$_{2}$O$_{3}$ 2 10 oF40 A2B3_oF40_43_b_ab-001 $Fdd2$ 43
X143 Ag$_{3}$O$_{4}$P 3 16 cP16 $H2_{1}$ A3B4C_cP16_218_c_e_a-001 $P\overline{4}3n$ 218 $H2_{1}$
8GWY Ag$_{2}$O$_{2}$Pb 3 10 mC20 A2B2C_mC20_15_ac_f_e-001 $C2/c$ 15
1YM0 Ag$_{5}$O$_{6}$Pb$_{2}$ 3 13 hP13 A5B6C2_hP13_157_2ac_2c_b-001 $P31m$ 157
QQE1 AgO$_{3}$Ru 3 20 hR20 AB3C_hR20_167_c_f_c-001 $R\overline{3}c$ 167
8R3H Ag$_{2}$RbS$_{4}$Sb 4 24 hP24 A2BC4D_hP24_154_c_a_2c_b-001 $P3_221$ 154
0GFL Ag$_{2}$S 2 12 mP12 A2B_mP12_14_2e_e-011 $P2_1/c$ 14 Acanthite
YUVG AgS$_{2}$Sb 3 16 mC32 AB2C_mC32_15_ae_2f_f-001 $C2/c$ 15 Miargyrite
8N0K Ag$_{3}$S$_{3}$Sb 3 28 mP28 A3B3C_mP28_14_3e_3e_e-001 $P2_1/c$ 14 Pyrostilpnite
G353 Ag$_{2}$Se 2 12 oP12 A2B_oP12_17_abe_e-001 $P222_1$ 17 α-Naumannite
LU1L Ag$_{2}$Se 2 12 oP12 A2B_oP12_19_2a_a-001 $P2_12_12_1$ 19 Nauminnite
JH5H AgTe 2 32 oP32 AB_oP32_62_2cd_2cd-001 $Pnma$ 62 Empressite
T2R2 Ag$_{5-x}$Te$_{3}$ 2 57 hP57 A12B7_hP57_174_2j2k4l_ghi3j2k-001 $P\overline{6}$ 174 Stützite
XDSH AgTe$_{2}$Tl$_{3}$ 3 24 mP24 AB2C3_mP24_14_e_2e_3e-001 $P2_1/c$ 14
35VG Ag$_{3}$Te$_{2}$Tl 3 6 oC12 A3B2C_oC12_65_ah_g_c-001 $Cmmm$ 65
RQCB AgZn 2 9 hP9 $B_{b}$ A2B_hP9_147_g_ad-001 $P\overline{3}$ 147 $B_{b}$, γ-AgZn
P55Q AlAsO$_{4}$ 3 18 hP18 ABC4_hP18_152_a_b_2c-001 $P3_121$ 152 Alarsite
DAG0 Al$_{2}$Au$_{3}$Sr 3 24 oP24 A2B3C_oP24_62_d_3c_c-001 $Pnma$ 62
75K4 AlB$_{2}$ 2 3 hP3 $C32$ AB2_hP3_191_a_d-001 $P6/mmm$ 191 $C32$ ω
ZF6C AlB$_{12}$ 2 216 tP216 A5B22_tP216_96_5b_2a21b-001 $P4_32_12$ 96 α-AlB$_{12}$
6ZPS AlB$_{6}$Cr$_{4}$ 3 11 oC22 AB6C4_oC22_65_a_3g_2h-001 $Cmmm$ 65
PDN7 AlB$_{4}$Mg 3 6 hP6 AB4C_hP6_191_a_h_b-001 $P6/mmm$ 191
U35P AlB$_{14}$Mg 3 34 oI68 AB14C2_oI68_74_a_3i2j_h-001 $Imma$ 74
XPEY AlB$_{2}$Mn$_{2}$ 3 5 oC10 AB2C2_oC10_65_a_g_h-001 $Cmmm$ 65
XSM0 AlBMo 3 6 oC12 ABC_oC12_63_c_c_c-005 $Cmcm$ 63
676C Al$_{4}$Ba 2 5 tI10 $D1_{3}$ A4B_tI10_139_de_a-001 $I4/mmm$ 139 $D1_{3}$
CSJ8 Al$_{9}$BaFe$_{2}$ 3 12 hP12 A9BC2_hP12_191_fm_a_c-001 $P6/mmm$ 191
CZW8 AlBa$_{5}$Ir$_{2}$O$_{11}$ 4 76 oP76 AB5C2D11_oP76_62_c_5c_2c_5c3d-001 $Pnma$ 62
6VW9 Al$_{2}$BaO$_{4}$ 3 18 hP18 $H2_{8}$ A2BC6_hP18_182_f_b_gh-001 $P6_322$ 182 $H2_{8}$
52T5 Al$_{2}$Be$_{3}$O$_{18}$Si$_{6}$ 4 58 hP58 $S3_{1}$ A2B3C18D6_hP58_192_c_f_lm_l-001 $P6/mcc$ 192 $S3_{1}$, Beryl
4WPC Al$_{2}$BiS$_{4}$ 3 28 tP28 A2BC4_tP28_126_cd_e_k-001 $P4/nnc$ 126
7UTD Al$_{2}$Br$_{8}$Ti 3 22 oP22 A2B8C_oP22_34_c_4c_a-001 $Pnn2$ 34
YAHB Al$_{4}$C$_{3}$ 2 7 hR7 $D7_{1}$ A4B3_hR7_166_2c_ac-001 $R\overline{3}m$ 166 $D7_{1}$
7U5Z Al$_{3}$CCaNa$_{3}$O$_{15}$Si$_{3}$ 6 52 hP52 $S3_{3}$(I) A3BCD3E15F3_hP52_173_c_b_b_c_5c_c-001 $P6_3$ 173 $S3_{3}$(I), Crancrinite
NEW2 AlCCr$_{2}$ 3 8 hP8 ABC2_hP8_194_c_a_f-007 $P6_3/mmc$ 194
2B7C AlCH$_{30}$NO$_{20}$S$_{2}$ 6 220 oP220 ABC30DE20F2_oP220_29_a_a_30a_a_20a_2a-001 $Pca2_1$ 29 LT Alum
SFC7 AlC$_{2}$H$_{36}$N$_{2}$O$_{20}$S$_{2}$ 6 252 cP252 $H4_{14}$ AB2C36D2E20F2_cP252_205_a_c_6d_c_c3d_c-001 $Pa\overline{3}$ 205 β-Alum
SRH0 Al$_{2}$CMo$_{3}$ 3 24 cP24 A2BC3_cP24_213_c_a_d-001 $P4_132$ 213
KHLK Al$_{5}$C$_{3}$N 3 18 hP18 $E9_{4}$ A5B3C_hP18_186_2a3b_2ab_b-001 $P6_3mc$ 186
T8T4 Al$_{6}$C$_{3}$N$_{2}$ 3 11 hR11 A6B3C2_hR11_166_3c_ac_c-001 $R\overline{3}m$ 166
JALT Al$_{7}$C$_{3}$N$_{3}$ 3 26 hP26 A7B3C3_hP26_186_3a4b_2ab_a2b-001 $P6_3mc$ 186
HGYT Al$_{8}$C$_{3}$N$_{4}$ 3 15 hR15 A8B3C4_hR15_166_4c_ac_2c-001 $R\overline{3}m$ 166
8D1V AlCaF$_{6}$Li 4 18 hP18 ABC6D_hP18_163_c_b_i_d-001 $P\overline{3}1c$ 163 Colquiriite
LL0W Al$_{2}$Ca$_{3}$H$_{12}$O$_{12}$ 4 116 cI232 $J2_{3}$ A2B3C12D12_cI232_230_a_c_h_h-001 $Ia\overline{3}d$ 230 $J2_{3}$
2K92 Al$_{3.8}$Ca$_{1.4}$H$_{26}$O$_{37}$Si$_{8.3}$Sr$_{0.3}$ 4 62 hR62 $S3_{4}$(I) A5B21C24D12_hR62_166_a2c_ehi_fg2h_i-001 $R\overline{3}m$ 166 $S3_{4}$(I), Chabazite
BCKL Al$_{6}$Ca$_{2.4}$K$_{1.6}$Na$_{4}$O$_{30}$S$_{1.5}$Si$_{6}$ 7 76 cP76 $S6_{9}$ A3B4C4D4E16F4G3_cP76_218_c_e_e_e_ei_e_d-001 $P\overline{4}3n$ 218 $S6_{9}$, Hauyne
6529 Al$_{3}$Ca$_{4}$Mg 3 32 oP32 A3B4C_oP32_57_c2d_4d_a-001 $Pbcm$ 57
Q2JD Al$_{2}$Ca$_{3}$O$_{6}$ 3 264 cP264 A2B3C6_cP264_205_2d_ab2c2d_6d-001 $Pa\overline{3}$ 205
TZEN Al$_{2}$Ca$_{3}$O$_{6}$ 3 33 cP33 $E9_{1}$ A2B3C6_cP33_221_cd_ag_fh-001 $Pm\overline{3}m$ 221 $E9_{1}$
L8NP Al$_{14}$Ca$_{12}$O$_{33}$ 3 76 cI152 $K7_{4}$ A7B12C19_cI152_220_ac_2d_bce-001 $I\overline{4}3d$ 220 $K7_{4}$, Mayenite
TBPX Al$_{6}$Ca$_{4}$O$_{16}$S 4 108 oP108 A6B4C16D_oP108_27_abcd4e_4e_16e_e-001 $Pcc2$ 27
JELG Al$_{10}$Ca$_{14}$O$_{35}$Zn$_{6}$ 4 65 cF260 A12B14C35D4_cF260_196_abeg_2ef_cef2h_e-001 $F23$ 196
S1AD Al$_{2}$CdS$_{4}$ 3 7 tI14 $E3$ A2BC4_tI14_82_bc_a_g-001 $I\overline{4}$ 82 $E3$
2SQ0 AlCl$_{3}$ 2 8 mC16 AB3_mC16_12_g_ij-001 $C2/m$ 12
K2MJ AlCl$_{3}$ 2 4 hP4 $D0_{13}$ AB3_hP4_164_a_bd-001 $P\overline{3}m1$ 164 $D0_{13}$ (Obsolete)
RSL8 AlCl$_{3}$ 2 8 mC16 $D0_{15}$ AB3_mC16_5_c_3c-001 $C2$ 5 $D0_{15}$
FV74 AlCl$_{4}$Cu 3 12 tP12 AB4C_tP12_112_b_n_e-001 $P\overline{4}2c$ 112 α-CuAlCl$_{4}$
KHU7 AlCl$_{4}$Cu 3 24 oP24 AB4C_oP24_33_a_4a_a-001 $Pna2_1$ 33 β-CuAlCl$_{4}$
R5TJ Al$_{13}$ClF$_{18}$O$_{20}$Si$_{5}$ 5 57 cF228 $S0_{8}$ A13BC18D20E5_cF228_216_ah_c_gh_2eh_be-001 $F\overline{4}3m$ 216 $S0_{8}$, Zunyite
43KD AlCl$_{4}$Na 3 24 oP24 AB4C_oP24_19_a_4a_a-001 $P2_12_12_1$ 19
NYVB Al$_{3}$ClNa$_{4}$O$_{12}$Si$_{3}$ 5 46 cP46 $S6_{2}$ A3BC4D12E3_cP46_218_c_a_e_i_d-001 $P\overline{4}3n$ 218 $S6_{2}$, Sodalite
8NAD Al$_{3}$ClNa$_{4}$O$_{24}$Si$_{9}$ 4 41 tI82 $S6_{4}$ AB4C24D12_tI82_87_a_h_2h2i_hi-001 $I4/m$ 87 $S6_{4}$, Marialite Scapolite
VX03 Al$_{5}$Co$_{2}$ 2 28 hP28 $D8_{11}$ A5B2_hP28_194_ahk_ch-001 $P6_3/mmc$ 194 $D8_{11}$
T95J Al$_{9}$Co$_{2}$ 2 22 mP22 A9B2_mP22_14_a4e_e-001 $P2_1/c$ 14 $D8_{d}$
DHFF Al$_{13}$Co$_{4}$ 2 102 oP102 A13B4_oP102_31_17a11b_8a2b-001 $Pmn2_1$ 31 Approximate Quasicrystal
DU5A Al$_{13}$Co$_{4}$ 2 51 mC102 A13B4_mC102_8_17a11b_8a2b-001 $Cm$ 8 Monoclinic
YMRU Al$_{2}$Co$_{3}$O$_{12}$Si$_{3}$ 4 80 cI160 $S1_{4}$ A2B3C12D3_cI160_230_a_c_h_d-001 $Ia\overline{3}d$ 230 $S1_{4}$, Garnet
X9QA Al$_{8}$Cr$_{5}$ 2 26 hR26 $D8_{10}$ A8B5_hR26_160_a3bc_a3b-001 $R3m$ 160 $D8_{10}$
3DEV Al$_{18}$Cr$_{2}$Mg$_{3}$ 3 46 cF184 A18B2C3_cF184_227_fg_d_ac-001 $Fd\overline{3}m$ 227
5ADG Al$_{13}$Cr$_{4}$Si$_{4}$ 3 21 cF84 A13B4C4_cF84_216_afg_e_e-001 $F\overline{4}3m$ 216
PARL Al$_{2}$Cu 2 6 tI12 $C16$ A2B_tI12_140_h_a-001 $I4/mcm$ 140 $C16$, Khatyrkite
TRNX Al$_{4}$Cu$_{9}$ 2 52 cP52 $D8_{3}$ A4B9_cP52_215_ei_3efgi-001 $P\overline{4}3m$ 215 $D8_{3}$, γ-Brass
YX16 Al$_{7}$Cu$_{2}$Fe 3 40 tP40 $E9_{a}$ A7B2C_tP40_128_egi_h_e-001 $P4/mnc$ 128 $E9_{a}$
08UR Al$_{2}$CuIr 3 8 oC16 A2BC_oC16_67_ag_b_g-001 $Cmme$ 67
ECJE Al$_{2}$CuMg 3 8 oC16 $E1_{a}$ A2BC_oC16_63_f_c_c-002 $Cmcm$ 63 $E1_{a}$
02WQ AlCu$_{2}$Mn 3 4 cF16 $L2_{1}$ AB2C_cF16_225_a_c_b-001 $Fm\overline{3}m$ 225 $L2_{1}$, Heusler
GHY9 AlDy 2 16 oP16 AB_oP16_57_cd_2d-001 $Pbcm$ 57
9G5F Al$_{9}$ErNi$_{3}$ 3 26 hR26 A9BC3_hR26_155_3cdef_c_f-001 $R32$ 155
46QF AlF$_{3}$ 2 40 tP40 AB3_tP40_127_di_cg2ij-001 $P4/mbm$ 127 κ-AlF$_{3}$
HQ3Z AlF$_{3}$ 2 64 tP64 AB3_tP64_129_2cdi_2cfhijk-001 $P4/nmm$ 129 θ-AlF$_{3}$
QG2U AlF$_{3}$ 2 8 hR8 $D0_{14}$ AB3_hR8_155_c_de-001 $R32$ 155 $D0_{14}$
W7TS AlF$_{3}$ 2 24 oC48 AB3_oC48_63_ad_cfgh-001 $Cmcm$ 63 β-AlF$_{3}$
U8XN AlF$_{6}$H$_{12}$N$_{3}$ 4 50 cF200 $J2_{1}$ AB30C16D3_cF200_225_a_ej_2f_bc-001 $Fm\overline{3}m$ 225 $J2_{1}$
KTF5 AlF$_{6}$K$_{2}$Li 4 20 hR20 AB6C2D_hR20_166_ab_2h_2c_c-001 $R\overline{3}m$ 166 HT
Q6TN AlF$_{7}$MgNa$_{2}$ 4 22 oI44 AB7CD2_oI44_24_a_c3d_b_ab-001 $I2_12_12_1$ 24 Weberite
6BL9 AlF$_{6}$Na$_{3}$ 3 10 oI20 AB6C3_oI20_71_a_el_bf-001 $Immm$ 71 HT Cryolite
G2BV AlF$_{6}$Na$_{3}$ 3 20 mP20 $J2_{6}$ AB6C3_mP20_14_a_3e_be-001 $P2_1/c$ 14 $J2_{6}$, RT Cryolite
GFQ6 Al$_{3}$F$_{14}$Na$_{5}$ 3 44 tP44 $K7_{5}$ A3B14C5_tP44_128_ac_ehi_bg-001 $P4/mnc$ 128 $K7_{5}$, Chiolite
7RBD Al$_{2}$F$_{2}$O$_{4}$Si 4 36 oP36 $S0_{5}$ A2B2C4D_oP36_62_d_d_2cd_c-001 $Pnma$ 62 $S0_{5}$, Topaz
Q57Q AlF$_{4}$Rb 3 24 oP24 AB4C_oP24_59_c_efg_ab-001 $Pmmn$ 59 RbAlF$_{4}$ III
QJN8 AlF$_{4}$Rb 3 12 tP12 AB4C_tP12_127_a_eg_c-001 $P4/mbm$ 127 RbAlF$_{4}$ II
416G AlF$_{4}$Tl 3 6 tP6 $H0_{8}$ AB4C_tP6_123_b_eg_c-001 $P4/mmm$ 123 $H0_{8}$
KA1Q AlF$_{5}$Tl$_{2}$ 3 16 oC32 AB5C2_oC32_63_a_cef_g-001 $Cmcm$ 63 Refined $K3_{3}$
XBH3 AlF$_{5}$Tl$_{2}$ 3 16 oC32 $K3_{3}$ AB5C2_oC32_20_a_2abc_c-001 $C222_1$ 20 $K3_{3}$
US2Q Al$_{5}$Fe$_{2}$ 2 12 oC24 A5B_oC24_63_afg_c-001 $Cmcm$ 63 η-Fe$_{2}$Al$_{5}$
U8YR Al$_{13}$Fe$_{4}$ 2 51 mC102 A13B4_mC102_12_ah8i5j_4ij-001 $C2/m$ 12
E4V9 AlFe$_{8}$H$_{18}$K$_{2}$O$_{66}$S$_{12}$ 6 524 cF2096 AB8C24D2E84F12_cF2096_228_a_cg_2h_b_7h_h-001 $Fd\overline{3}c$ 228 Voltaite
QHVX Al$_{5}$Fe$_{2}$H$_{2}$O$_{12}$Si$_{2}$ 5 42 mC84 A5B2C2D10E2_mC84_12_acghj_bdi_2i_5j_j-001 $C2/m$ 12 Staurolite
WS3B Al$_{8}$FeMg$_{3}$Si$_{6}$ 4 18 hP18 $E9_{b}$ A8BC3D6_hP18_189_agh_b_f_i-001 $P\overline{6}2m$ 189 $E9_{b}$, π-FeMg$_{3}$Al$_{8}$Si$_{6}$
0WD7 Al$_{9}$FeMg$_{3}$Si$_{5}$ 4 18 hP18 A9BC3D5_hP18_189_fi_a_g_bh-001 $P\overline{6}2m$ 189 π-FeMg$_{3}$Al$_{9}$Si$_{5}$
CXFF Al$_{4}$FeO$_{10}$(OH)$_{2}$Si 4 38 oC76 $S0_{4}$ A4BC12D2_oC76_63_eg_c_f3gh_g-001 $Cmcm$ 63 $S0_{4}$, Staurolite
AY9W Al$_{2}$Gd$_{3}$ 2 20 tP20 A2B3_tP20_102_2c_b2c-001 $P4_2nm$ 102
9LSQ AlH$_{3}$ 2 16 cF64 AB3_cF64_227_c_f-001 $Fd\overline{3}m$ 227 β-Alane
U4T0 AlH$_{3}$ 2 64 tP64 AB3_tP64_85_2ceg_2cf5g-001 $P4/n$ 85 δ-Alane ({\em proposed})
WUSJ AlH$_{3}$ 2 24 oP24 AB3_oP24_58_ag_c2gh-001 $Pnnm$ 58 γ-Alane
MHB8 AlH$_{24}$KO$_{20}$S$_{2}$ 5 224 cP224 $H4_{13}$ AB24CD28E2_cP224_205_a_4d_b_2c4d_c-001 $Pa\overline{3}$ 205 $H4_{13}$, α-Alum
8J4A Al$_{3}$H$_{2}$KO$_{12}$Si$_{3}$ 5 38 mC76 $S5_{1}$ A2BC10D2E4_mC76_15_f_e_5f_f_2f-001 $C2/c$ 15 $S5_{1}$, Muscovite
VBLW AlH$_{24}$NaO$_{20}$S$_{2}$ 5 192 cP192 $H4_{15}$ AB24CD20E2_cP192_205_a_4d_b_c3d_c-001 $Pa\overline{3}$ 205 $H4_{15}$, γ-Alum
PFBA AlH$_{2}$NaO$_{7}$Si$_{2}$ 5 92 tI184 $S6_{1}$ A2B2C3D12E4_tI184_142_f_f_be_3g_g-001 $I4_1/acd$ 142 $S6_{1}$, Analcime
XPSY AlHO$_{2}$ 3 16 oP16 $E0_{2}$ ABC2_oP16_62_c_c_2c-002 $Pnma$ 62 $E0_{2}$, Diaspore
J4ZX AlHO$_{6}$Si$_{2}$ 4 36 mC72 $S5_{6}$ AB5CD2_mC72_15_f_5f_f_2f-001 $C2/c$ 15 $S5_{6}$, Pyrophyllite
SDY7 Al$_{2}$H$_{4}$O$_{9}$Si$_{2}$ 4 34 mC68 $S5_{4}$ A2B4C9D2_mC68_9_2a_4a_9a_2a-001 $Cc$ 9 $S5_{4}$, Nacrite
FT02 Al$_{2}$H$_{4}$O$_{12}$Si$_{3}$ 5 46 oF184 $S6_{10}$ A2B4C2D12E3_oF184_43_b_2b_b_6b_ab-001 $Fdd2$ 43 $S6_{10}$, Natrolite
FPN8 Al$_{3}$KMg$_{2}$O$_{15}$Si$_{12}$ 5 96 hP96 A3BC2D30E12_hP96_192_f_a_c_l2m_m-001 $P6/mcc$ 192 Osumilite
SDL2 AlKO$_{8}$S$_{2}$ 4 12 hP12 $H3_{2}$ ABC8D2_hP12_150_a_b_dg_d-001 $P321$ 150 $H3_{2}$, Steklite
JF0M AlKO$_{8}$Si$_{3}$ 3 26 mC52 $S6_{7}$ AB8C4_mC52_12_i_gi3j_2j-001 $C2/m$ 12 $S6_{7}$, Sanidine
TNYL Al$_{11}$La$_{3}$ 2 14 oI28 A11B3_oI28_71_bf2m_ai-001 $Immm$ 71
WEUP AlLi$_{3}$N$_{2}$ 3 48 cI96 $E9_{d}$ AB3C2_cI96_206_c_e_ad-001 $Ia\overline{3}$ 206 $E9_{d}$
JWKX AlLiO$_{2}$ 3 12 mC24 ABC2_mC24_12_ah_cg_ij-001 $C2/m$ 12 Predicted ζ-LiAlO$_{2}$
TYEK AlLiO$_{2}$ 3 16 tP16 ABC2_tP16_92_a_a_b-001 $P4_12_12$ 92 γ-LiAlO$_{2}$
JRX6 Al$_{3}$Li$_{9}$O$_{29}$P$_{8}$ 4 98 hP98 A3B9C29D8_hP98_165_f_bdg_df4g_dg-001 $P\overline{3}c1$ 165
N1MQ AlLiO$_{4}$Si 4 84 hP84 ABC4D_hP84_181_gi_bcf_4k_hj-001 $P6_422$ 181 β-Eucryptite
94E5 AlLi$_{3}$P$_{2}$ 3 24 oC48 AB3C2_oC48_64_d_dg_ef-001 $Cmce$ 64 Experimental
QKN5 AlLi$_{3}$P$_{2}$ 3 48 oI96 AB3C2_oI96_73_f_3f_acde-001 $Ibca$ 73 Computational
56N2 Al$_{12}$Mg$_{17}$ 2 29 cI58 A12B17_cI58_217_g_acg-001 $I\overline{4}3m$ 217
DB0A Al$_{30}$Mg$_{23}$ 2 53 hR53 A30B23_hR53_148_5f_a2c3f-001 $R\overline{3}$ 148
MZYE Al$_{2}$MgO$_{4}$ 3 14 cF56 $H1_{1}$ A2BC4_cF56_227_c_b_e-001 $Fd\overline{3}m$ 227 $H1_{1}$, Spinel
9AQF AlMg$_{32}$Zn$_{48}$ 3 81 cI162 $D8_{e}$ AB32C48_cI162_204_a_2efg_2gh-001 $Im\overline{3}$ 204 $D8_{e}$, Bergman
WUDY Al$_{3}$Mn 2 156 oP156 A9B4_oP156_62_5c11d_6c3d-001 $Pnma$ 62
386R Al$_{6}$Mn 2 14 oC28 $D2_{h}$ A6B_oC28_63_efg_c-001 $Cmcm$ 63 $D2_{h}$
KM59 Al$_{9}$Mn$_{3}$Si 3 26 hP26 $E9_{c}$ A9B3C_hP26_194_hk_h_a-001 $P6_3/mmc$ 194 $E9_{c}$
584Z Al$_{5}$Mo 2 12 hR12 A5B_hR12_167_ce_b-001 $R\overline{3}c$ 167 Rhombohedral
TWK7 Al$_{5}$Mo 2 60 hP60 A5B_hP60_143_7a7b6c10d_3a3b4c-001 $P3$ 143 Trigonal (h')
1Y1T Al$_{8}$Mo$_{3}$ 2 11 mC22 A8B3_mC22_12_4i_ai-001 $C2/m$ 12
QL9A Al$_{17}$Mo$_{4}$ 2 42 mC84 A17B4_mC84_5_ab16c_4c-001 $C2$ 5
15LF Al$_{22}$Mo$_{5}$ 2 54 oF216 A22B5_oF216_43_11b_a2b-001 $Fdd2$ 43
3QP3 AlN 2 10 cF40 AB_cF40_216_ae_be-001 $F\overline{4}3m$ 216 Theoretical
6RJH AlN 2 8 cI16 AB_cI16_217_c_c-001 $I\overline{4}3m$ 217 Theoretical
MH9E AlN 2 12 cI24 AB_cI24_220_a_b-001 $I\overline{4}3d$ 220 Theoretical
53FU AlN$_{3}$Ti$_{4}$ 3 16 hP16 AB3C4_hP16_194_c_af_ef-001 $P6_3/mmc$ 194 MAX Phase
7JMK Al$_{2}$N$_{2}$Ti$_{2}$ 3 22 hP22 A2B4C5_hP22_186_ab_4b_a4b-001 $P6_3mc$ 186
M6W2 AlNaO$_{4}$Si 4 28 cP28 $S6_{5}$ ABC4D_cP28_198_a_a_ab_a-001 $P2_13$ 198 $S6_{5}$, α-Carnegieite
8BAG AlNaO$_{8}$Si$_{3}$ 4 26 aP26 $S6_{8}$ ABC8D3_aP26_2_i_i_8i_3i-001 $P\overline{1}$ 2 $S6_{8}$, Albite
HK1Y AlNbO$_{4}$ 3 12 mC24 ABC4_mC24_12_i_i_4i-001 $C2/m$ 12
TJ6A Al$_{3}$Ni 2 16 oP16 $D0_{20}$ A3B_oP16_62_cd_c-001 $Pnma$ 62 $D0_{20}$
EUFT Al$_{3}$Ni$_{2}$ 2 5 hP5 $D5_{13}$ A3B2_hP5_164_ad_d-001 $P\overline{3}m1$ 164 $D5_{13}$
L1EN Al$_{20}$Ni$_{3}$Ru$_{5}$ 3 31 cP31 A23B2C6_cP31_200_cij_ab_f-001 $Pm\overline{3}$ 200 C-AlRuNi
ULYP Al$_{4}$NiY 3 12 oC24 A4BC_oC24_63_acf_c_c-002 $Cmcm$ 63
0T4U AlNiZr 3 9 hP9 ABC_hP9_189_f_bc_g-003 $P\overline{6}2m$ 189
CBQY Al$_{2}$O$_{3}$ 2 10 hR10 $D5_{1}$ A2B3_hR10_167_c_e-001 $R\overline{3}c$ 167 $D5_{1}$, Corundum, α-alumina
SGA3 Al$_{2}$O$_{3}$ 2 40 oP40 A2B3_oP40_33_4a_6a-001 $Pna2_1$ 33 κ Alumina
T15Z Al$_{2}$O$_{3}$ 2 60 hP60 $D5_{6}$ A2B3_hP60_194_3fk_cdef2k-001 $P6_3/mmc$ 194 $D5_{6}$, β-Alumina
YL8L Al$_{2}$O$_{3}$ 2 84 tP84 A3B4_tP84_115_acef3g3j3k_6j6k-001 $P\overline{4}m2$ 115 δ-alumina/Deltalumite
5X6W AlO$_{4}$P 3 72 hP72 AB4C_hP72_168_2d_8d_2d-001 $P6$ 168
72JS AlO$_{4}$P 3 72 hP72 AB4C_hP72_184_d_4d_d-001 $P6cc$ 184
HRBV AlO$_{4}$P 3 12 oC24 AB4C_oC24_20_a_2c_b-001 $C222_1$ 20 Low Cristobalite Type
M1VB AlO$_{4}$P 2 72 hP72 AB2_hP72_192_m_j2kl-001 $P6/mcc$ 192
2BX1 AlO$_{9}$P$_{3}$ 3 104 cI208 $G5_{2}$ AB9C3_cI208_220_c_3e_e-001 $I\overline{4}3d$ 220 $G5_{2}$
4TPV Al$_{2}$O$_{5}$Si 3 32 aP32 $S0_{1}$ A2B5C_aP32_2_4i_10i_2i-001 $P\overline{1}$ 2 $S0_{1}$, Kyanite
V93J Al$_{2}$O$_{5}$Si 3 32 oP32 $S0_{2}$ A2B5C_oP32_58_eg_3gh_g-001 $Pnnm$ 58 $S0_{2}$, Andalusite
XCRT Al$_{2}$O$_{5}$Si 3 32 oP32 $S0_{3}$ A2B5C_oP32_62_ac_3cd_c-001 $Pnma$ 62 $S0_{3}$, Sillimanite
TY99 Al$_{4}$O$_{14}$Ta$_{3}$ 3 21 hP21 A4B14C3_hP21_143_ad_bc4d_d-001 $P3$ 143 Simpsonite
XT4N Al$_{13}$Os$_{4}$ 2 17 mC34 A13B4_mC34_12_a6i_2i-001 $C2/m$ 12
8PL6 AlPS$_{4}$ 3 12 oP12 ABC4_oP12_16_ae_bd_2u-001 $P222$ 16
5EQ4 AlPd 2 26 hR26 AB_hR26_148_a2f_b2f-001 $R\overline{3}$ 148
E109 Al$_{3}$Pu 2 24 hP24 A3B_hP24_194_hk_bf-002 $P6_3/mmc$ 194 Hexagonal PuAl$_{3}$
0WYL Al$_{2}$S$_{3}$ 2 30 hP30 A2B3_hP30_169_2a_3a-001 $P6_1$ 169
G6GN Al$_{2}$S$_{3}$ 2 30 hP30 A2B3_hP30_170_2a_3a-001 $P6_5$ 170
QSR1 Al$_{2}$Se$_{4}$Sr 3 14 oC28 A2B4C_oC28_66_l_kl_a-001 $Cccm$ 66
7W3W Al$_{3}$Ti 2 4 tI8 $D0_{22}$ A3B_tI8_139_ad_b-001 $I4/mmm$ 139 $D0_{22}$
FNF2 Al$_{4}$U 2 10 oI20 $D1_{b}$ A4B_oI20_74_aeh_e-001 $Imma$ 74 $D1_{b}$
WWX6 Al$_{10}$V 2 44 cF176 A10B_cF176_227_cfg_d-001 $Fd\overline{3}m$ 227
W4P8 Al$_{23}$V$_{4}$ 2 54 hP54 A23B4_hP54_194_fh3k_ah-001 $P6_3/mmc$ 194
4Z2U Al$_{45}$V$_{7}$ 2 52 mC104 A45B7_mC104_12_a8i7j_cij-001 $C2/m$ 12
10PS Al$_{4}$W 2 15 mC30 A4B_mC30_8_2a5b_ab-001 $Cm$ 8
BQ6N Al$_{5}$W 2 12 hP12 A5B_hP12_182_bcg_d-001 $P6_322$ 182
JDL2 Al$_{12}$W 2 13 cI26 A12B_cI26_204_g_a-001 $Im\overline{3}$ 204
QSNP Al$_{2}$Zr$_{3}$ 2 20 tP20 A2B3_tP20_136_j_dfg-001 $P4_2/mnm$ 136
CSTH Al$_{3}$Zr 2 8 tI16 $D0_{23}$ A3B_tI16_139_cde_e-001 $I4/mmm$ 139 $D0_{23}$
7D48 Al$_{3}$Zr$_{2}$ 2 10 oF40 A3B2_oF40_43_ab_b-001 $Fdd2$ 43
AMP4 Al$_{3}$Zr$_{4}$ 2 7 hP7 A3B4_hP7_191_f_de-001 $P6/mmm$ 191
F2V5 As 1 2 hR2 $A7$ A_hR2_166_c-001 $R\overline{3}m$ 166 $A7$, α-As
34FL As$_{2}$Ba 2 18 mP18 A2B_mP18_7_6a_3a-001 $Pc$ 7
8C3Q As$_{4}$Ba$_{2}$Fe$_{2}$OTi$_{2}$ 5 11 tI22 A4B2C2DE2_tI22_139_2e_e_d_a_c-001 $I4/mmm$ 139
W96U As$_{2}$BaGe$_{2}$ 3 20 tP20 A2BC2_tP20_105_f_bc_2d-001 $P4_2mc$ 105
VJPX As$_{2}$BaNi$_{2}$O$_{8}$ 4 13 hR13 A2BC2D8_hR13_148_c_a_c_cf-001 $R\overline{3}$ 148
PSUB AsC$_{32}$CeP$_{4}$S$_{8}$ 5 184 tP184 AB32CD4E8_tP184_93_i_16p_af_2p_4p-001 $P4_222$ 93
2T8B AsCV$_{3}$ 3 10 oC20 ABC3_oC20_63_c_a_cf-003 $Cmcm$ 63
YU5Q As$_{4}$Ca$_{2}$F$_{2}$Fe$_{4}$K 5 13 tI26 A4B2C2D4E_tI26_139_2e_e_d_g_a-001 $I4/mmm$ 139 12442-type s.c.
X7PG As$_{4}$CaFe$_{4}$Rb 4 10 tP10 A4BC4D_tP10_123_gh_a_i_d-001 $P4/mmm$ 123 Superconductor
G4QQ As$_{2}$Cd 2 6 tI12 A2B_tI12_98_f_a-001 $I4_122$ 98
1P80 As$_{2}$Cd$_{3}$ 2 80 tI160 A2B3_tI160_142_deg_3g-001 $I4_1/acd$ 142
J7FX As$_{7}$Cd$_{8}$Cl 3 20 cP20 A7B12C_cP20_195_ag_3e_b-001 $P23$ 195
4FK1 As$_{2}$Cl$_{9}$Cs$_{3}$ 3 14 hP14 $K7_{3}$ A2B9C3_hP14_150_d_eg_ad-001 $P321$ 150 $K7_{3}$
4NVE As$_{4}$ClKO$_{6}$ 4 12 hP12 A4BCD6_hP12_191_h_a_b_i-001 $P6/mmm$ 191 Lucabindiite
8Z7Q AsCo 2 8 oP8 AB_oP8_33_a_a-001 $Pna2_1$ 33 Modderite
9U6F As$_{3}$Co 2 16 cI32 $D0_{2}$ A3B_cI32_204_g_c-001 $Im\overline{3}$ 204 $D0_{2}$, Skutterudite
8UWB AsCoS 3 12 oP12 ABC_oP12_29_a_a_a-001 $Pca2_1$ 29 Colbaltite
XP6Z As$_{3}$Cr$_{3}$K$_{2}$ 3 16 hP16 A3B3C2_hP16_187_jk_jk_ak-001 $P\overline{6}m2$ 187 Quasi-1D Superconductor
2RFK AsCuPbS$_{3}$ 4 24 oP24 ABCD3_oP24_31_2a_b_2a_2a2b-001 $Pmn2_1$ 31 Seligmannite
DUB2 AsCuS 3 12 oP12 ABC_oP12_62_c_c_c-017 $Pnma$ 62 Lautite
31D9 AsCu$_{3}$S$_{4}$ 3 8 cP8 AB3C4_cP8_215_a_c_e-001 $P\overline{4}3m$ 215 Lazarevićite
3FZ9 AsCu$_{3}$S$_{4}$ 3 8 tI16 AB3C4_tI16_121_a_bd_i-001 $I\overline{4}2m$ 121 Luzonite
L0GQ AsCu$_{3}$S$_{4}$ 3 16 oP16 $H2_{5}$ AB3C4_oP16_31_a_ab_2ab-001 $Pmn2_1$ 31 $H2_{5}$, Enargite
5PAV AsCu$_{12}$S$_{13}$ 3 41 cI82 A4B24C13_cI82_217_c_deg_ag-001 $I\overline{4}3m$ 217 Tennantite
1T51 AsCuSiZr 4 8 tP8 ABCD_tP8_129_c_b_a_c-001 $P4/nmm$ 129
C60C As$_{2}$EuFe 3 8 mP8 A2BC_mP8_11_2e_e_e-001 $P2_1/m$ 11
P0GV AsFe 2 8 oP8 $B14$ AB_oP8_62_c_c-005 $Pnma$ 62 $B14$, Westerveldite
RH3X AsFeS 3 12 mP12 $E0_{7}$ ABC_mP12_14_e_e_e-002 $P2_1/c$ 14 $E0_{7}$, Arsenopyrite
JZUV AsGa 2 2 oI4 AB_oI4_44_a_b-001 $Imm2$ 44 $>$ 24 GPa
X52Z As$_{2}$Ge 2 24 oP24 A2B_oP24_55_2g2h_gh-001 $Pbam$ 55
YE34 AsHO$_{5}$Zn$_{2}$ 4 36 oP36 $H2_7$ ABC5D2_oP36_58_g_g_3gh_eg-001 $Pnnm$ 58 $H2_7$, Adamite
H422 AsK$_{3}$S$_{4}$ 3 32 oP32 AB3C4_oP32_33_a_3a_4a-001 $Pna2_1$ 33
GZNE AsKSe$_{2}$ 3 16 aP16 ABC2_aP16_1_4a_4a_8a-001 $P1$ 1
LRN3 AsLi 2 16 mP16 AB_mP16_14_2e_2e-002 $P2_1/c$ 14
DPFG AsMn$_{3}$ 2 8 oC16 AB3_oC16_63_c_3c-001 $Cmcm$ 63
JBSJ As$_{2}$Mn$_{3}$O$_{2}$Sr$_{2}$ 4 9 tI18 A2B3C2D2_tI18_139_e_ad_c_e-001 $I4/mmm$ 139
8QA4 As$_{3}$Mo$_{2}$ 2 10 mC20 A3B2_mC20_12_3i_2i-001 $C2/m$ 12
3ERL AsNa$_{3}$ 2 24 hP24 AB3_hP24_185_c_ab2c-001 $P6_3cm$ 185
5M89 AsNa$_{3}$ 2 8 hP8 $D0_{18}$ AB3_hP8_194_c_bf-001 $P6_3/mmc$ 194 $D0_{18}$
M2PT AsNb 2 4 tI8 AB_tI8_109_a_a-001 $I4_1md$ 109
0898 As$_{2}$Nb 2 6 mC12 A2B_mC12_5_2c_c-001 $C2$ 5
J9UY As$_{3}$Nb$_{4}$ 2 28 oC56 A3B4_oC56_63_2c2f_ac3f-001 $Cmcm$ 63
5BM7 As$_{2}$Nd 2 12 mP12 A2B_mP12_14_2e_e-012 $P2_1/c$ 14
Y3TN AsNi 2 4 hP4 $B8_{1}$ AB_hP4_194_c_a-001 $P6_3/mmc$ 194 $B8_{1}$, Nickeline
ZBG0 As$_{2}$Ni 2 24 oP24 A2B_oP24_61_2c_c-003 $Pbca$ 61 Pararammelsbergite
CBJ0 As$_{8}$Ni$_{11}$ 2 76 tP76 A8B11_tP76_92_2a3b_a5b-001 $P4_12_12$ 92 Maucherite
8A06 As$_{2}$O$_{14}$Pb$_{3}$TeZn$_{3}$ 5 23 hP23 A2B14C3DE3_hP23_150_d_d2g_e_a_f-001 $P321$ 150 Dugganite
C55J AsO$_{4}$Sb 3 12 mP12 AB4C_mP12_11_e_2ef_e-001 $P2_1/m$ 11
SCRS As$_{2}$O$_{7}$Sr$_{2}$ 3 88 tP88 A2B7C2_tP88_78_4a_14a_4a-001 $P4_3$ 78
XSQ7 AsPd$_{5}$ 2 12 mC24 AB5_mC24_12_i_g2ij-001 $C2/m$ 12
HAGZ AsRb$_{3}$Se$_{16}$ 3 40 cF160 AB3C16_cF160_203_a_bc_eg-001 $Fd\overline{3}$ 203
1XXN As$_{2}$Rh$_{2}$Sr 3 20 mP20 A2B2C_mP20_14_2e_2e_e-001 $P2_1/c$ 14 α-SrRh$_{2}$As$_{2}$
DY16 As$_{2}$Rh$_{2}$Sr 3 5 oF20 A2B2C_oF20_69_g_f_a-001 $Fmmm$ 69 β-SrRh$_{2}$As$_{2}$
R9YN AsS 2 32 mP32 $B_{l}$ AB_mP32_14_4e_4e-002 $P2_1/c$ 14 $B_{l}$, Realgar
WH80 AsS 2 32 mP32 AB_mP32_14_4e_4e-001 $P2_1/c$ 14 Pararealgar
4PSJ As$_{2}$S$_{3}$ 2 20 mP20 $D5_{f}$ A2B3_mP20_14_2e_3e-002 $P2_1/c$ 14 $D5_{f}$, Orpiment
QZUF AsS$_{2}$Tl 3 32 mP32 AB2C_mP32_14_2e_4e_2e-001 $P2_1/c$ 14 Lorándite
233Q AsS$_{3}$Tl$_{3}$ 3 56 oP56 AB3C3_oP56_61_c_3c_3c-001 $Pbca$ 61
S6UY AsSi 2 12 mC24 AB_mC24_12_3i_3i-001 $C2/m$ 12
RN9C As$_{3}$Sn$_{4}$ 2 7 hR7 A3B4_hR7_160_3a_4a-001 $R3m$ 160
8W6Z As$_{2}$Te$_{3}$ 2 10 mC20 A2B3_mC20_12_2i_3i-003 $C2/m$ 12 α-As$_{2}$Te$_{3}$
E9RV AsTi 2 8 hP8 $B_{i}$ AB_hP8_194_ac_f-004 $P6_3/mmc$ 194 $B_{i}$
3454 AuBe$_{5}$ 2 6 cF24 $C15_{b}$ AB5_cF24_216_a_ce-001 $F\overline{4}3m$ 216 $C15_{b}$
SAP5 AuBr$_{4}$(H$_{2}$O)$_{2}$K 4 32 mP32 $H4_{19}$ AB4C2D_mP32_14_e_4e_2e_e-001 $P2_1/c$ 14 $H4_{19}$
2L05 AuBr$_{4}$K 3 24 mP24 AB4C_mP24_14_ab_4e_e-001 $P2_1/c$ 14 Anhydrous Form
R3D2 Au$_{2}$C$_{4}$CoN$_{4}$ 4 66 hP66 A2B4CD4_hP66_181_k_2k_f_2k-001 $P6_422$ 181
Q8EL AuCN 3 3 hP3 ABC_hP3_183_a_a_a-001 $P6mm$ 183
WLS6 AuCd 2 4 oP4 $B19$ AB_oP4_51_e_f-001 $Pmma$ 51 $B19$, β'-AuCd
QC4Q AuCl$_{3}$Cs 3 10 tI20 $K7_{6}$ AB3C_tI20_139_ab_eh_d-001 $I4/mmm$ 139 $K7_{6}$
9JUZ AuCu 2 2 tP2 $L1_{0}$ AB_tP2_123_a_d-001 $P4/mmm$ 123 $L1_{0}$
NK1T AuCu$_{3}$ 2 4 cP4 $L1_{2}$ AB3_cP4_221_a_c-001 $Pm\overline{3}m$ 221 $L1_{2}$, Bogdanovite
45S0 AuF$_{3}$ 2 24 hP24 AB3_hP24_179_b_ac-001 $P6_522$ 179
UBNE AuF$_{3}$ 2 24 hP24 AB3_hP24_178_b_ac-001 $P6_122$ 178 Refined Structure
16HD Au$_{7}$IP$_{10}$ 3 18 hP18 A7BC10_hP18_189_ceg_a_hi-001 $P\overline{6}2m$ 189 Hexagonal Au$_{7}$P$_{10}$I
RQ68 Au$_{7}$IP$_{10}$ 3 18 hP18 A7BC10_hP18_162_ceg_a_hk-001 $P\overline{3}1m$ 162 Trigonal Au$_{7}$P$_{10}$I
KAKD Au$_{4}$KSn$_{4}$ 3 14 tI28 A4BC2_tI28_120_i_a_h-001 $I\overline{4}c2$ 120
4CEX AuLiMgSn 4 4 cF16 ABCD_cF16_216_a_b_c_d-001 $F\overline{4}3m$ 216 Quaternary Heusler
JM3Q AuMn 2 2 oP2 AB_oP2_47_a_h-001 $Pmmm$ 47
U1FT AuMn$_{3}$ 2 12 tP12 AB3_tP12_123_ae_cghi-001 $P4/mmm$ 123
9H7D Au$_{5}$Mn$_{2}$ 2 7 mC14 A5B2_mC14_12_a2i_i-001 $C2/m$ 12
J58A Au$_{11}$Mn$_{3}$ 2 14 mC28 A11B3_mC28_12_a5i_ci-001 $C2/m$ 12
FCR5 Au$_{31}$Mn$_{9}$ 2 40 tP40 A31B9_tP40_83_ae3j4k_cjk-001 $P4/m$ 83
5STC Au$_{2}$Nb$_{3}$ 2 5 tI10 A2B3_tI10_139_e_ae-001 $I4/mmm$ 139
PQQZ Au$_{2}$P$_{3}$ 2 10 mC20 A2B3_mC20_12_eh_ij-001 $C2/m$ 12
GET1 Au$_{3}$Sb$_{4}$Y$_{3}$ 3 20 cI40 A3B4C3_cI40_220_a_c_b-001 $I\overline{4}3d$ 220
FZA4 AuSn$_{2}$ 2 24 oP24 AB2_oP24_61_c_2c-001 $Pbca$ 61
1QX2 AuTe$_{2}$ 2 3 mC6 $C34$ AB2_mC6_12_a_i-001 $C2/m$ 12 $C34$, Calaverite
A9SX AuTe$_{2}$ 2 24 oP24 AB2_oP24_28_acd_2c3d-001 $Pma2$ 28 Krennerite
G433 AuTe$_{2}$ 2 12 mP12 AB2_mP12_7_2a_4a-001 $Pc$ 7 Calaverite
PCHF Au$_{2}$V 2 6 oC12 A2B_oC12_38_de_ab-001 $Amm2$ 38
GVGD Au$_{3}$Zn 2 16 oC32 A3B_oC32_64_def_d-001 $Cmce$ 64 R$_{2}$ Au$_{3}$Zn
Q6FW Au$_{3}$Zn 2 32 tI64 A3B_tI64_142_def_d-001 $I4_1/acd$ 142
PD7K Au$_{5}$Zn$_{3}$ 2 16 oP16 A5B3_oP16_26_a2c_a2b-001 $Pmc2_1$ 26 Metastable
KLZ3 Au$_{4}$Zr 2 20 oP20 A4B_oP20_62_4c_c-001 $Pnma$ 62
1Y2H B 1 12 hR12 A_hR12_166_2h-001 $R\overline{3}m$ 166 R-105 α-Boron
R7N6 B 1 50 tP50 $A_{g}$ A_tP50_134_a2m2n-001 $P4_2/nnm$ 134 $A_{g}$
Y6TF B 1 105 hR105 A_hR105_166_ac9h4i-001 $R\overline{3}m$ 166 R-105 β-Boron
RYPV B$_{2}$BaO$_{4}$ 3 42 hR42 A2BC4_hR42_167_f_ac_2f-001 $R\overline{3}c$ 167 β-BaB$_{2}$O$_{4}$
UFMT B$_{2}$BaO$_{4}$ 3 42 hR42 A2BC4_hR42_161_2b_b_4b-001 $R3c$ 161 α-BaB$_{2}$O$_{4}$
PC4V B$_{9}$Ba$_{3}$O$_{18}$Y 4 62 hP62 A9B3C18D_hP62_176_hi_af_2h2i_b-001 $P6_3/m$ 176
Q3TB BBe$_{2}$F$_{2}$KO$_{3}$ 5 9 hR9 AB2C2DE3_hR9_155_a_c_c_b_d-001 $R32$ 155
29CG B$_{2}$BeH$_{8}$ 3 88 tI176 A2BC8_tI176_110_2b_b_8b-001 $I4_1cd$ 110
PKYK BBe$_{2}$HO$_{4}$ 4 64 oP64 $G7_{2}$ AB2CD4_oP64_61_c_2c_c_4c-001 $Pbca$ 61 $G7_{2}$, Hambergite
FFAL B$_{2}$Be$_{2}$O$_{7}$Sr$_{2}$ 4 26 hP26 A2B2C7D2_hP26_188_i_h_cl_ab-001 $P\overline{6}c2$ 188
PZDF B$_{13}$C$_{2}$ 2 15 hR15 $D1_{g}$ A13B2_hR15_166_a2h_c-001 $R\overline{3}m$ 166 $D1_{g}$, aka B$_{4}$C
XLRT B$_{2}$C$_{2}$La 3 10 tP10 A2B2C_tP10_131_j_l_f-001 $P4_2/mmc$ 131
F0CN BCLi 3 6 hP6 ABC_hP6_194_c_d_a-001 $P6_3/mmc$ 194
4LX6 B$_{2}$CLuNi$_{2}$ 4 6 tI12 A2BCD2_tI12_139_e_a_b_d-001 $I4/mmm$ 139
BJ3W B$_{2}$C$_{2}$Mg 3 40 oC80 A2B2C_oC80_64_efg_efg_df-001 $Cmce$ 64
93YX B$_{2}$C$_{2}$Sc 3 20 oP20 A2B2C_oP20_55_2g_2g_h-001 $Pbam$ 55
FACW B$_{3}$C$_{3}$Sr 3 14 cP14 A3B3C_cP14_223_c_d_a-001 $Pm\overline{3}n$ 223 Clathrate
8RZF BCTh 3 24 tP24 ABC_tP24_95_d_d_d-001 $P4_322$ 95 Enantiomorph of sg \#91
S6UF BCTh 3 24 tP24 ABC_tP24_91_d_d_d-001 $P4_122$ 91 Enantiomorph of sg \#95
AFH9 BCTh$_{2}$ 3 12 hR12 A2BC_hR12_166_g_d_ac-001 $R\overline{3}m$ 166
NQGP BCU 3 6 oC12 ABC_oC12_63_c_c_c-004 $Cmcm$ 63
DRSV BCU$_{2}$ 3 8 oP8 A2BC_oP8_51_i_a_f-001 $Pmma$ 51 α-UB$_{2}$C
GKJM B$_{6}$Ca 2 7 cP7 $D2_{1}$ A6B_cP7_221_e_b-001 $Pm\overline{3}m$ 221 $D2_{1}$
44A7 B$_{2}$CaO$_{4}$ 3 28 oP28 $E3_{2}$ A2BC4_oP28_60_d_c_2d-001 $Pbcn$ 60 $E3_{2}$
S26L B$_{2}$CaO$_{4}$ 3 84 oP84 A2BC4_oP84_33_6a_3a_12a-001 $Pna2_1$ 33 CaB$_{2}$O$_{4}$ III
TZRB B$_{2}$CaO$_{4}$ 3 84 cP84 A2BC4_cP84_205_d_ac_2d-001 $Pa\overline{3}$ 205 CaB$_{2}$O$_{4}$ IV
ZD64 B$_{2}$CaO$_{4}$ 3 56 oP56 A2BC4_oP56_56_2e_e_4e-001 $Pccn$ 56 Calciborite
APE4 B$_{2}$CaO$_{8}$Si$_{2}$ 4 52 oP52 $S6_{3}$ A2BC8D2_oP52_62_d_c_2c3d_d-001 $Pnma$ 62 $S6_{3}$, Danburite
EUHG B$_{4}$CeCo$_{4}$ 3 18 tP18 A4BC4_tP18_137_g_a_g-001 $P4_2/nmc$ 137
PN0D B$_{2}$CeRu$_{2}$ 3 10 oF40 A2BC2_oF40_22_ej_ac_fi-001 $F222$ 22
0WNV B$_{7}$ClMg$_{3}$O$_{13}$ 4 48 cF192 A7BC3D13_cF192_219_ce_a_d_bh-001 $F\overline{4}3c$ 219 Boracite
G1FS BCoFeO$_{4}$ 4 28 oP28 ABCD4_oP28_62_c_c_c_4c-001 $Pnma$ 62 Warwickite
RJNZ B$_{2}$Co$_{2}$O$_{5}$ 3 18 aP18 A2B2C5_aP18_2_2i_2i_5i-001 $P\overline{1}$ 2
QWV1 BCr 2 4 oC8 $B33$ AB_oC8_63_c_c-001 $Cmcm$ 63 $B33$
AK18 B$_{3}$Cr$_{5}$ 2 16 tI32 $D8_{l}$ A3B5_tI32_140_ah_cl-001 $I4/mcm$ 140 $D8_{l}$
67TW B$_{4}$CrY 3 24 oP24 A4BC_oP24_55_4g_h_h-001 $Pbam$ 55
Z0HT B$_{4}$CsFO$_{6}$ 4 48 oP48 A4BCD6_oP48_33_4a_a_a_6a-001 $Pna2_1$ 33
USSD B$_{2}$Cu$_{2}$O$_{6}$Sr 4 22 tI44 A2B2C6D_tI44_121_i_i_ij_c-001 $I\overline{4}2m$ 121
GH4J BFe 2 8 oP8 $B27$ AB_oP8_62_c_c-003 $Pnma$ 62 $B27$
1BSH BFe$_{2}$ 2 6 tI12 $C17$ AB2_tI12_121_ab_i-001 $I\overline{4}2m$ 121 $C17$ (Obsolete)
A5YT BFeMg$_{2}$O$_{5}$ 4 36 oP36 ABC2D5_oP36_55_g_g_adh_3g2h-001 $Pbam$ 55 Ludwigite
8URQ BFe$_{1.315}$Mg$_{0.56}$O$_{5}$Sn$_{0.1}$ 5 18 mP18 A2B2C3D10E_mP18_10_m_ac_en_3m2n_g-001 $P2/m$ 10 Hulsite
5SWM B$_{2}$FeMo$_{2}$ 3 10 tP10 A2BC2_tP10_127_g_a_h-002 $P4/mbm$ 127
FUR0 BFe$_{14}$Nd$_{2}$ 3 68 tP68 AB14C2_tP68_136_f_ce2j2k_fg-001 $P4_2/mnm$ 136
5YKD BGdO$_{3}$ 3 30 hR30 ABC3_hR30_155_de_f_de2f-001 $R32$ 155 LT
R6VB BGdO$_{3}$ 3 10 hP10 ABC3_hP10_194_c_a_h-002 $P6_3/mmc$ 194 HT
3XCA B$_{2}$H$_{6}$ 2 16 mP16 AB3_mP16_14_e_3e-002 $P2_1/c$ 14
WZYX B$_{2}$H$_{6}$ 2 16 mP16 AB3_mP16_14_e_3e-003 $P2_1/c$ 14 β-B$_{2}$H$_{6}$
WSA1 BH$_{4}$K 3 10 cF40 AB8C_cF40_225_a_f_b-001 $Fm\overline{3}m$ 225 RT
PZB0 B$_{6}$H$_{6}$K 3 26 cF104 A6B6C_cF104_202_h_h_c-001 $Fm\overline{3}$ 202
C7EQ B$_{5}$H$_{8}$KO$_{12}$ 4 52 oC104 $K3_{5}$ A5B8CD12_oC104_41_a2b_4b_a_6b-001 $Aea2$ 41 $K3_{5}$, Santite
Z918 B$_{2}$H$_{6}$MgO$_{7}$ 4 64 tP64 A2B6CD7_tP64_77_2d_6d_d_ab6d-001 $P4_2$ 77 Pinnoite
X29X B$_{12}$H$_{36}$MgO$_{12}$ 4 122 cF488 A12B36CD12_cF488_210_h_3h_a_fg-001 $F4_132$ 210
W9M1 BHO$_{2}$ 3 96 cP96 ABC2_cP96_218_i_i_2i-001 $P\overline{4}3n$ 218 γ-Metaboric Acid
XNVP BHO$_{2}$ 3 48 mP48 ABC2_mP48_14_3e_3e_6e-001 $P2_1/c$ 14 Clinometaborite
XYXT BHO$_{2}$ 3 48 oP48 ABC2_oP48_62_3c_3c_6c-001 $Pnma$ 62 α-Metaboric Acid
1CPH BH$_{4}$O$_{12}$P$_{2}$Sc 5 120 hP120 AB4C12D2E_hP120_179_b_2c_6c_c_b-001 $P6_522$ 179
H1GD BH$_{3}$O$_{3}$ 3 28 aP28 $G5_{1}$ AB3C3_aP28_2_2i_6i_6i-001 $P\overline{1}$ 2 $G5_{1}$, Boric Acid
AJFU B$_{2}$InTi$_{2}$ 3 5 hP5 A2BC2_hP5_187_ac_b_i-001 $P\overline{6}m2$ 187
Q06Z BD$_{4}$K 3 12 tP12 AB4C_tP12_137_a_g_b-001 $P4_2/nmc$ 137 LT
L33F BKO$_{2}$ 3 24 hR24 $F5_{13}$ ABC2_hR24_167_e_e_2e-001 $R\overline{3}c$ 167 $F5_{13}$
DVKH BLa$_{3}$O$_{9}$W 4 28 hP28 AB3C9D_hP28_173_a_c_3c_b-001 $P6_3$ 173 Hexagonal
2PDY BLi$_{3}$N$_{2}$ 3 12 tP12 AB3C2_tP12_136_a_bd_f-001 $P4_2/mnm$ 136 α-Li$_{3}$BN$_{2}$
0XN3 BLi$_{3}$O$_{9}$W 4 28 hP28 AB3C9D_hP28_143_2a_2d_6d_bc-001 $P3$ 143 Trigonal
K791 BLi$_{2}$Pt$_{3}$ 3 24 cP24 AB2C3_cP24_212_a_c_d-001 $P4_332$ 212
8U8B B$_{4}$Mg 2 20 oP20 A4B_oP20_62_2cd_c-001 $Pnma$ 62
59YW B$_{2}$Mg$_{3}$O$_{6}$ 3 22 oP22 A2B3C6_oP22_58_g_af_gh-001 $Pnnm$ 58 Kotoite
RZ74 BMn$_{2}$ 2 12 oF48 $D1_{f}$ AB2_oF48_70_e_ef-001 $Fddd$ 70 $D1_{f}$
B9A8 BMo 2 8 tI16 $B_{g}$ AB_tI16_141_e_e-001 $I4_1/amd$ 141 $B_{g}$
WZKM B$_{5}$Mo$_{2}$ 2 7 hR7 $D8_{i}$ A5B2_hR7_166_a2c_c-001 $R\overline{3}m$ 166 $D8_{i}$
B95F B$_{4}$MoTh 3 12 oC24 A4BC_oC24_65_gip_h_j-001 $Cmmm$ 65
0Q2T BN 2 2 oF8 AB_oF8_42_a_a-001 $Fmm2$ 42 HP
QUDC BN 2 4 hP4 $B12$ AB_hP4_186_b_a-001 $P6_3mc$ 186 $B12$ (Obsolete)
SHYT BN 2 4 hP4 $B_{k}$ AB_hP4_194_c_d-001 $P6_3/mmc$ 194 $B_{k}$
01SA B$_{8}$Nb$_{7}$Rh$_{6}$ 3 126 hP126 A8B7C6_hP126_176_2h3i_acd6h_3i-001 $P6_3/m$ 176
F86A B$_{8}$Nb$_{7}$Ru$_{6}$ 3 21 hP21 A8B7C6_hP21_175_ck_aj_k-001 $P6/m$ 175
49QQ B$_{3}$Ni$_{4}$ 2 28 oP28 A3B4_oP28_62_3c_4c-001 $Pnma$ 62 Orthorhombic Ni$_{4}$B$_{3}$
XJ9R B$_{3}$Ni$_{4}$ 2 14 mC28 A3B4_mC28_15_ef_2f-001 $C2/c$ 15 Monoclinic Ni$_{4}$B$_{3}$
KLS9 B$_{2}$O$_{3}$ 2 10 oC20 A2B3_oC20_36_b_ab-001 $Cmc2_1$ 36 Orthorhombic HP
MKFS B$_{2}$O$_{3}$ 2 15 hP15 A2B3_hP15_152_c_ac-001 $P3_121$ 152 Trigonal
C601 BO$_{4}$P 3 6 tI12 $H0_{7}$ AB4C_tI12_82_c_g_a-001 $I\overline{4}$ 82 $H0_{7}$
DLX0 B$_{4}$O$_{7}$Sr 3 24 oP24 A4B7C_oP24_31_2b_a3b_a-001 $Pmn2_1$ 31
AE3Q BO$_{3}$Tm 3 30 hP30 AB3C_hP30_193_g_gk_bd-001 $P6_3/mcm$ 193 Ordered YBO$_{3}$
3718 BO$_{3}$Y 3 18 hP18 A3B5C_hP18_194_h_fh_a-001 $P6_3/mmc$ 194 Disordered YBO$_{3}$
ZCCT BPS$_{4}$ 3 6 oI12 ABC4_oI12_23_a_b_k-001 $I222$ 23
CZ5K B$_{2}$Pd$_{5}$ 2 14 mC28 A2B5_mC28_15_f_e2f-001 $C2/c$ 15
EW0Y BRe$_{3}$ 2 8 oC16 AB3_oC16_63_c_cf-001 $Cmcm$ 63
TH7D B$_{2}$Re 2 6 hP6 A2B_hP6_194_f_c-003 $P6_3/mmc$ 194
72PY B$_{3}$Re 2 8 hP8 A3B_hP8_194_af_c-001 $P6_3/mmc$ 194
BRW1 B$_{2}$Ru 2 6 oP6 A2B_oP6_59_e_a-001 $Pmmn$ 59
6FNW B$_{8}$Ru$_{11}$ 2 38 oP38 A8B11_oP38_55_3gh_b2g3h-001 $Pbam$ 55
B1DH B$_{2}$Ru$_{3}$U 3 48 hP48 A2B3C_hP48_147_2d2g_4g_abef-001 $P\overline{3}$ 147
3XYE B$_{4}$Ta$_{3}$ 2 7 oI14 $D7_{b}$ A4B3_oI14_71_ef_af-001 $Immm$ 71 $D7_{b}$
GQBH B$_{4}$Th 2 20 tP20 $D1_{e}$ A4B_tP20_127_ehj_g-001 $P4/mbm$ 127 $D1_{e}$
JTKK B$_{12}$U 2 13 cF52 $D2_{f}$ A12B_cF52_225_h_b-001 $Fm\overline{3}m$ 225 $D2_{f}$
S78A B$_{5}$W$_{2}$ 2 14 hP14 $D8_{h}$ A5B2_hP14_194_abcf_f-001 $P6_3/mmc$ 194 $D8_{h}$
WL10 BaBe$_{2}$O$_{7}$Si$_{2}$ 4 24 oP24 AB2C7D2_oP24_31_a_b_a3b_b-001 $Pmn2_1$ 31 Clinobarylite
GFEJ Ba$_{5}$Bi$_{5}$In$_{4}$ 3 28 tP28 A5B5C4_tP28_104_ac_ac_c-001 $P4nc$ 104
8N75 BaBi$_{4}$O$_{15}$Ti$_{4}$ 4 48 oC96 AB4C15D4_oC96_36_a_2b_a7b_2b-001 $Cmc2_1$ 36 RT
Y186 BaBi$_{4}$O$_{15}$Ti$_{4}$ 4 24 tI48 AB4C15D4_tI48_139_a_2e_bd2e2g_2e-001 $I4/mmm$ 139 HT $m=4$ Aurivillius
HV0S Ba$_{3}$C$_{60}$ 2 126 cP126 AB20_cP126_223_c_k2l-001 $Pm\overline{3}n$ 223 Fullerene
6HGL BaCCaO$_{3}$ 3 5 mC10 ABC3_mC10_5_b_a_ac-001 $C2$ 5
FL2F BaC$_{2}$CaO$_{6}$ 4 30 hP30 AB2CD6_hP30_150_e_c2d_f_3g-001 $P321$ 150 Paralstonite
YSME BaC$_{2}$CaO$_{6}$ 4 20 mP20 AB2CD6_mP20_11_e_2e_e_2e2f-001 $P2_1/m$ 11 Barytocalcite
QDTB BaC$_{4}$(H$_{2}$O)$_{4}$N$_{4}$Ni 5 28 mC56 $H4_{22}$ AB4C4D4E_mC56_15_e_2f_2f_2f_a-001 $C2/c$ 15 $H4_{22}$
BESE Ba$_{2}$CaCu$_{2}$HgO$_{7}$ 5 13 tP13 A2BC2DE7_tP13_123_g_b_h_c_ahi-001 $P4/mmm$ 123
BZRA Ba$_{2}$CaCu$_{2}$O$_{8}$Sr$_{2}$ 5 15 tI30 A2BC2D8E2_tI30_139_e_a_e_2eg_e-001 $I4/mmm$ 139
EV03 BaCd$_{11}$ 2 24 tI48 AB11_tI48_141_b_aci-001 $I4_1/amd$ 141
2BLQ Ba$_{3}$CoIr$_{2}$O$_{9}$ 4 60 mP60 A3BC2D9_mP60_13_ef2g_ab_2g_ef8g-001 $P2/c$ 13 Monoclinic (II)
BHER Ba$_{3}$CoIr$_{2}$O$_{9}$ 4 30 hP30 A3BC2D9_hP30_194_bf_a_f_hk-001 $P6_3/mmc$ 194 Hexagonal
G3XE Ba$_{3}$CoIr$_{2}$O$_{9}$ 4 30 mC60 A3BC2D9_mC60_15_ef_a_f_e4f-001 $C2/c$ 15 Monoclinic (I)
BMKB BaCo$_{2}$O$_{8}$V$_{2}$ 4 52 tI104 AB2C8D2_tI104_142_a_f_2g_e-001 $I4_1/acd$ 142
ZUBF BaCo$_{4}$O$_{7}$Yb 4 26 hP26 AB4C7D_hP26_159_b_ac_a2c_b-001 $P31c$ 159
7UDV Ba$_{3}$Cr$_{2}$O$_{8}$ 3 13 hR13 A3B2C8_hR13_166_ac_c_ch-002 $R\overline{3}m$ 166
MXLF BaCr$_{2}$O$_{12}$Ru$_{4}$ 4 76 tP76 AB2C12D4_tP76_75_2a2b_2d_12d_4d-001 $P4$ 75 Hexagonal hollandite
K0VP BaCuFeO$_{5}$Y 5 11 tP11 AB2C2D5E_tP11_123_a_h_h_ci_b-001 $P4/mmm$ 123
V35A Ba$_{2}$CuO$_{4}$ 3 7 tI14 AB2C4_tI14_139_a_e_ce-001 $I4/mmm$ 139 High-$T_{c}$
61ZR BaCu$_{4}$O$_{17}$P$_{4}$V 5 54 tP54 AB4C17D4E_tP54_90_a_g_c4g_g_c-001 $P42_12$ 90
W9F8 BaCuO$_{5}$Sm$_{2}$ 4 36 oP36 ABC5D2_oP36_62_c_c_c2d_2c-001 $Pnma$ 62
MZYC Ba$_{2}$Cu$_{3}$O$_{7-x}$Y 4 13 oP13 A2B3C7D_oP13_47_k_cj_aijl_f-001 $Pmmm$ 47 Cuprate High-$T_{c}$
2EBJ Ba$_{2}$Cu$_{4}$O$_{8}$Y 4 15 oC30 A2B4C8D_oC30_65_h_2g_3gh_c-001 $Cmmm$ 65 ``124 Superconductor''
TTW9 Ba$_{4}$Cu$_{7}$O$_{15}$Y$_{2}$ 4 29 oC58 A4B7C16D2_oC58_65_2h_b3g_ac5g2h_h-001 $Cmmm$ 65 ``247 Superconductor''
F77P BaF$_{4}$Zn 3 12 oC24 AB4C_oC24_36_a_4a_a-002 $Cmc2_1$ 36
KF6U Ba$_{4}$Ga$_{8}$Sn$_{15}$ 4 72 cP72 A13B3C8D12_cP72_223_ak_c_i_k-001 $Pm\overline{3}n$ 223 β-Ba$_{8}$Ga$_{16}$Sn$_{30}$ Clathrate
YXNP Ba$_{4}$Ga$_{8}$Sn$_{15}$ 4 27 cI54 A4B4C6D13_cI54_217_c_c_d_ag-001 $I\overline{4}3m$ 217 α-Ba$_{8}$Ga$_{16}$Sn$_{30}$ Clathrate
2EDD BaHg$_{11}$ 2 36 cP36 $D2_{e}$ AB11_cP36_221_c_agij-001 $Pm\overline{3}m$ 221 $D2_{e}$
Z69R Ba$_{3}$In$_{2}$O$_{11}$Zn$_{5}$ 4 42 cF168 A3B2C11D5_cF168_216_f_e_ab2eh_eg-001 $F\overline{4}3m$ 216
4VUW BaLa$_{2}$O$_{5}$Zn 4 18 tI36 AB2C5D_tI36_140_a_h_cl_b-001 $I4/mcm$ 140
JAJR BaLi$_{4}$ 2 30 hP30 AB4_hP30_194_h_afhk-001 $P6_3/mmc$ 194
HB2V Ba$_{19}$Li$_{44}$ 2 126 tI252 A19B44_tI252_122_ac4e_2d10e-001 $I\overline{4}2d$ 122
50AM BaMn$_{2}$O$_{4}$ 3 13 mC26 AB4C8_mC26_12_a_2i_4i-001 $C2/m$ 12 Hollandite
8TUC BaMn$_{2}$O$_{6}$Sm 4 80 oP80 AB2C6D_oP80_62_2c_2d_2c5d_d-001 $Pnma$ 62 RT
LDXU BaMn$_{2}$O$_{6}$Sm 4 40 oP40 AB2C6D_oP40_26_2a_2c_2a2b4c_2b-001 $Pmc2_1$ 26 LT
VMAN BaMn$_{2}$O$_{6}$Sm 4 20 oC40 AB2C6D_oC40_65_g_n_ijklm_h-001 $Cmmm$ 65 HT
83J5 Ba$_{2}$MnO$_{6}$W 4 10 cF40 A2BC6D_cF40_225_c_a_e_b-001 $Fm\overline{3}m$ 225 Double Perovskite
CY1Y BaMo$_{6}$S$_{8}$ 3 15 hR15 AB6C8_hR15_148_a_f_cf-001 $R\overline{3}$ 148
B64B BaNa$_{2}$NiO$_{8}$P$_{2}$ 5 14 hP14 AB2CD8E2_hP14_147_a_d_b_dg_d-001 $P\overline{3}$ 147
9CFG Ba$_{4}$NbO$_{12}$Ru$_{3}$ 4 20 hR20 A4BC12D3_hR20_166_2c_a_2h_bc-001 $R\overline{3}m$ 166
X8HZ Ba$_{6}$Nd$_{2}$O$_{17}$Ti$_{4}$ 4 58 hP58 A6B2C17D4_hP58_194_ab2f_e_fh2k_2f-001 $P6_3/mmc$ 194
UTCF BaNiO$_{3}$ 3 10 hP10 ABC3_hP10_194_c_a_h-001 $P6_3/mmc$ 194
M4UL Ba$_{5}$Ni$_{4}$O$_{21}$Yb$_{8}$ 4 38 tI76 A5B4C21D8_tI76_87_ah_h_bh2i_2h-001 $I4/m$ 87
N3SR BaNiSn$_{3}$ 3 5 tI10 ABC3_tI10_107_a_a_ab-001 $I4mm$ 107
QUVT BaO$_{12}$Ru$_{6}$ 3 76 tP76 AB12C6_tP76_85_2c_6g_3g-001 $P4/n$ 85
CXQX BaO$_{4}$S 3 24 oP24 $H0_{2}$ AB4C_oP24_62_c_2cd_c-001 $Pnma$ 62 $HO_{2}$ barite
QC0E Ba$_{2}$O$_{8}$Si$_{2}$Ti 4 26 tP26 A2B8C2D_tP26_100_c_abcd_c_a-001 $P4bm$ 100 Fresnoite
4LGS Ba$_{3}$O$_{9}$SrTa$_{2}$ 4 15 hP15 A3B9CD2_hP15_164_ad_ei_b_d-001 $P\overline{3}m1$ 164
3BZX BaO$_{3}$Ti 3 5 tP5 AB3C_tP5_99_b_ac_a-001 $P4mm$ 99 Tetragonal BaTiO$_{3}$
8STH BaO$_{3}$Ti 3 5 oC10 AB3C_oC10_38_a_ae_b-002 $Amm2$ 38 Orthorhombic BaTiO$_{3}$
VHHA BaO$_{3}$Ti 3 30 hP30 AB3C_hP30_194_bf_hk_af-001 $P6_3/mmc$ 194 Hexagonal BaTiO$_{3}$
X85U BaO$_{3}$Ti 3 5 hR5 AB3C_hR5_160_a_b_a-001 $R3m$ 160 Rhombohedral BaTiO$_{3}$
NHXQ BaPb$_{3}$ 2 12 hR12 AB3_hR12_166_ac_eh-001 $R\overline{3}m$ 166
NKMF BaPtSb 3 3 hP3 ABC_hP3_187_b_c_e-001 $P\overline{6}m2$ 187
0A77 BaS$_{3}$ 2 8 tP8 $D0_{17}$ AB3_tP8_113_a_ce-001 $P\overline{4}2_1m$ 113 $D0_{17}$
69TS BaS$_{3}$ 2 16 oP16 AB3_oP16_18_ab_3c-001 $P2_12_12$ 18 Original $D0_{17}$
00JM BaSb$_{2}$Zn 3 8 tI16 AB2C_tI16_139_e_ce_d-003 $I4/mmm$ 139
0VYM Ba$_{5}$Si$_{3}$ 2 32 tP32 A5B3_tP32_130_cg_cf-001 $P4/ncc$ 130
2DJ4 BaSi$_{4}$O$_{9}$ 3 28 hP28 $S3_{2}$ AB9C4_hP28_188_a_kl_ck-001 $P\overline{6}c2$ 188 $S3_{2}$
BGG4 BaZn$_{5}$ 2 12 oC24 AB5_oC24_63_c_ceg-001 $Cmcm$ 63
H0MM Be$_{2}$CaGe$_{2}$ 3 10 tP10 A2BC2_tP10_129_ac_c_bc-001 $P4/nmm$ 129
AU9C BeHNaO$_{8}$Si$_{3}$ 5 62 mC124 A2B4C2D17E6_mC124_15_f_2f_f_e8f_3f-001 $C2/c$ 15 Eudidymite
QQ21 BeHNaO$_{8}$Si$_{3}$ 5 112 oP112 $S4_{7}$ ABCD8E3_oP112_62_d_2c_d_4c6d_3d-001 $Pnma$ 62 $S4_{7}$, Epididymite
KR2S BeH$_{8}$O$_{8}$S 4 36 tI72 $H4_{3}$ AB8C8D_tI72_120_b_2i_2i_c-001 $I\overline{4}c2$ 120 $H4_{3}$
CJUB Be$_{3}$N$_{2}$ 2 10 hP10 A3B2_hP10_194_bf_ac-001 $P6_3/mmc$ 194 β-Be$_{3}$N$_{2}$
QF4S Be$_{4}$NaSbO$_{7}$ 4 26 hP26 $E9_{2}$ A4BC7D_hP26_186_ac_b_a2c_b-001 $P6_3mc$ 186 $E9_{2}$, Swedenborgite
3QUZ Be$_{3}$Nb 2 12 hR12 A3B_hR12_166_ach_bc-001 $R\overline{3}m$ 166
3JAE Be$_{17}$Nb$_{2}$ 2 19 hR19 A17B2_hR19_166_cegh_c-001 $R\overline{3}m$ 166
FJT4 BeO 2 8 tP8 AB_tP8_136_f_g-001 $P4_2/mnm$ 136 β-BeO
BQNX Be$_{2}$O$_{4}$Si 3 42 hR42 $S1_{3}$ A2B4C_hR42_148_2f_4f_f-001 $R\overline{3}$ 148 $S1_{3}$, Phenakite
4A1E Be$_{3}$P$_{2}$ 2 80 tI160 A3B2_tI160_142_3g_abcef-001 $I4_1/acd$ 142 Tetragonal Be$_{3}$P$_{2}$
92TS Be$_{17}$Ru$_{3}$ 2 80 cI160 A17B3_cI160_204_def2gh_g-001 $Im\overline{3}$ 204
NZ59 Be$_{4}$Si$_{2}$O$_{7}$(OH)$_{2}$ 4 30 oC60 $S4_{6}$ A4B7C2D2_oC60_36_2b_a3b_2a_b-001 $Cmc2_1$ 36 $S4_{6}$, Bertrandite
FEUM Be$_{12}$Ti 2 13 hP13 $D2_{a}$ A12B_hP13_191_cdei_a-001 $P6/mmm$ 191 $D2_{a}$
ZBUL Bi$_{2}$Ca$_{2}$Cu$_{3}$O$_{10}$Sr$_{2}$ 5 38 oC76 A2B2C3D10E2_oC76_37_d_d_cd_5d_d-001 $Ccc2$ 37 Bi-2223
N4MV Bi$_{2}$CuO$_{4}$ 3 28 tP28 A2BC4_tP28_130_f_c_g-001 $P4/ncc$ 130
KFY2 BiF$_{3}$ 2 4 cF16 $D0_{3}$ AB3_cF16_225_a_bc-001 $Fm\overline{3}m$ 225 $D0_{3}$
55HD Bi$_{4}$FFe$_{5}$O$_{13}$ 4 108 tP108 A4B4C5D14_tP108_135_i_i_dfh_egh2i-001 $P4_2/mbc$ 135
7EHM Bi$_{2}$Fe$_{4}$O$_{9}$ 3 30 oP30 A2B4C9_oP30_55_h_fg_aghi-001 $Pbam$ 55 Ambient Pressure
BYQL Bi$_{2}$Fe$_{4}$O$_{9}$ 3 60 oP60 A2B4C9_oP60_62_d_2cd_3c3d-001 $Pnma$ 62 HP
M0MD Bi$_{7}$Fe$_{3}$O$_{21}$ 3 34 oF136 A7B6C21_oF136_42_a3c_3c_ab3c3e-001 $Fmm2$ 42 $m = 6$ Aurivillius
WWU9 BiGaO$_{3}$ 3 20 oP20 ABC3_oP20_54_e_d_cf-001 $Pcca$ 54
ZATP Bi$_{2}$GeO$_{5}$ 3 16 oC32 A2BC5_oC32_36_b_a_a2b-001 $Cmc2_1$ 36
6RE9 BiI 2 8 mC16 AB_mC16_12_2i_2i-003 $C2/m$ 12 γ-BiI
DA8J BiI 2 8 mC16 AB_mC16_12_2i_2i-002 $C2/m$ 12 β-BiI
DK3T BiI 2 16 mC32 AB_mC32_12_4i_4i-001 $C2/m$ 12 α-BiI
TZC0 BiI$_{3}$ 2 8 hR8 $D0_{5}$ AB3_hR8_148_c_f-001 $R\overline{3}$ 148 $D0_{5}$
MU2V Bi$_{2}$MnTe$_{4}$ 3 7 hR7 A2BC4_hR7_166_c_a_2c-002 $R\overline{3}m$ 166
SPWJ Bi$_{4}$MnTe$_{7}$ 3 12 hP12 A4BC7_hP12_164_2d_a_bc2d-001 $P\overline{3}m1$ 164
LD13 Bi$_{6}$MnTe$_{10}$ 3 17 hR17 A6BC10_hR17_166_3c_a_5c-001 $R\overline{3}m$ 166
UQQ3 Bi$_{2}$MoO$_{6}$ 3 36 oP36 A2BC6_oP36_29_2a_a_6a-001 $Pca2_1$ 29 Koechlinite (RT)
UYPX Bi$_{2}$MoO$_{6}$ 3 144 mP144 A2BC6_mP144_14_8e_4e_24e-001 $P2_1/c$ 14 HT
FSA1 Bi$_{3}$Nb$_{2}$O$_{9}$ 3 14 oF56 A3B2C9_oF56_69_ag_g_bfgl-001 $Fmmm$ 69 $m = 2$ Aurivillius
V4P2 BiNi 2 33 mC66 A16B17_mC66_12_4i2j_aeh4ij-001 $C2/m$ 12
J16T Bi$_{3}$Ni 2 16 oP16 A3B_oP16_62_3c_c-003 $Pnma$ 62
LY1V Bi$_{2}$Ni$_{3}$S$_{2}$ 3 8 oP8 AB2C_oP8_51_e_be_f-001 $Pmma$ 51 Parkerite
14M3 Bi$_{2}$O$_{3}$ 2 20 hP20 A2B3_hP20_186_bc_2c-001 $P6_3mc$ 186 HPC
7G59 Bi$_{2}$O$_{3}$ 2 20 mP20 A2B3_mP20_14_2e_3e-003 $P2_1/c$ 14 α-Bi$_{2}$O$_{3}$
8111 Bi$_{2}$O$_{3}$ 2 33 cI66 A13B20_cI66_197_af_2cf-001 $I23$ 197 γ-Bi$_{2}$O$_{3}$
B48H Bi$_{2}$O$_{3}$ 2 20 tP20 $D5_{12}$ A2B3_tP20_117_i_adgh-001 $P\overline{4}b2$ 117 $D5_{12}$, β-Bi$_{2}$O$_{3}$
X2Q7 Bi$_{2}$O$_{3}$ 2 9 cF36 AB8_cF36_225_a_f-001 $Fm\overline{3}m$ 225 δ-Bi$_{2}$O$_{3}$
XT2J Bi$_{2}$O$_{3}$ 2 20 hP20 A2B3_hP20_159_bc_2c-001 $P31c$ 159 HP
ABT7 Bi$_{5}$O$_{15}$Nb$_{3}$ 3 46 oP46 A5B3C15_oP46_30_a2c_bc_a7c-001 $Pnc2$ 30
0WEU Bi$_{3}$O$_{11}$Ru$_{3}$ 3 68 cP68 A3B11C3_cP68_201_be_efh_g-001 $Pn\overline{3}$ 201
VQL6 Bi$_{4}$O$_{12}$Si$_{3}$ 3 38 cI76 $S1_{5}$ A4B12C3_cI76_220_c_e_a-001 $I\overline{4}3d$ 220 $S1_{5}$, Eulytine
5TXE Bi$_{4}$O$_{12}$Ti$_{3}$ 3 38 oC76 A4B12C3_oC76_41_2b_6b_ab-001 $Aea2$ 41 $m = 3$ Aurivillius (Obsolete)
S41T Bi$_{4}$O$_{12}$Ti$_{3}$ 3 38 mP38 A4B12C3_mP38_7_4a_12a_3a-001 $Pc$ 7 $m = 3$ Aurivillius
Y2ES Bi$_{4}$O$_{12}$Ti$_{3}$ 3 19 oF76 A4B12C3_oF76_69_2g_cf2gl_ag-001 $Fmmm$ 69 $m = 3$ Aurivillius
0N6E Bi$_{4}$O$_{11}$V$_{2}$ 3 32 tI64 A5B9C2_tI64_139_em_d2n_h-001 $I4/mmm$ 139 γ-Bi$_{4}$V$_{2}$O$_{11}$
AB76 Bi$_{4}$O$_{11}$V$_{2}$ 3 38 oC76 A4B12C3_oC76_63_eg_fg2h_cf-001 $Cmcm$ 63 β-Bi$_{4}$V$_{2}$O$_{11}$
JBQX Bi$_{4}$O$_{11}$V$_{2}$ 3 56 mC112 A3B9C2_mC112_5_6c_2a2b16c_4c-001 $C2$ 5 α-Bi$_{4}$V$_{2}$O$_{11}$
PUZH Bi$_{2}$PbS$_{4}$ 3 28 oP28 A2BC4_oP28_62_2c_c_4c-001 $Pnma$ 62 Galenobismutite
6W3L BiPd 2 16 oC32 AB_oC32_36_2ab_2ab-001 $Cmc2_1$ 36 β-BiPd
QNKQ BiPd 2 16 mP16 AB_mP16_4_4a_4a-001 $P2_1$ 4 α-BiPd
9W5L BiPd$_{3}$ 2 16 oP16 AB3_oP16_51_af_behk-001 $Pmma$ 51 α-BiPd$_{3}$
0NDQ Bi$_{2}$Pd 2 6 mC12 A2B_mC12_12_2i_i-006 $C2/m$ 12 α-Bi$_{2}$Pd
0RUP Bi$_{2}$Pt 2 9 hP9 A2B_hP9_147_g_ad-002 $P\overline{3}$ 147
V61M Bi$_{4}$Rh 2 60 cI120 A4B_cI120_230_h_c-001 $Ia\overline{3}d$ 230
UEMM BiSe 2 12 hP12 AB_hP12_164_c2d_c2d-001 $P\overline{3}m1$ 164 Nevskite
12L3 Bi$_{3}$Sr$_{2}$ 2 20 oP20 A3B2_oP20_52_de_cd-001 $Pnna$ 52
NGV5 Bi$_{2}$Te$_{3}$ 2 5 hR5 $C33$ A2B3_hR5_166_c_ac-001 $R\overline{3}m$ 166 $C33$
MVZB Bi$_{4}$Te$_{3}$ 2 7 hR7 A4B3_hR7_166_2c_ac-002 $R\overline{3}m$ 166
69PJ BrCGd 3 6 mC12 ABC_mC12_12_i_i_i-003 $C2/m$ 12
N0R6 BrClI(NH$_{4}$) 4 16 oP16 $F5_{14}$ ABCD_oP16_62_c_c_c_c-001 $Pnma$ 62 $F5_{14}$
GN34 BrCu$_{4}$FH$_{6}$O$_{6}$ 5 40 hP40 AB6CD6E6_hP40_194_c_gh_b_k_k-001 $P6_3/mmc$ 194 Barlowite
RZ26 Br$_{2}$Cu$_{2}$O$_{6}$PbSe$_{2}$ 5 26 oC52 A2B2C6DE2_oC52_63_g_e_fh_c_f-001 $Cmcm$ 63
2SVA BrCuSe$_{3}$ 3 20 oP20 ABC3_oP20_30_2a_c_3c-001 $Pnc2$ 30
SET9 BrCuSe$_{3}$ 3 20 oP20 ABC3_oP20_53_e_g_hi-001 $Pmna$ 53
G1GD BrH$_{4}$N 3 12 tP12 $B25$ AB4C_tP12_129_c_i_a-001 $P4/nmm$ 129 $B25$
PV6C Br$_{3}$(H$_{2}$O)$_{6}$KMg 4 44 tP44 $E2_{6}$ A3B6CD_tP44_85_acg_3g_bc_d-001 $P4/n$ 85 $E2_{6}$, Bromocarnallite
776H Br(H$_{2}$O)$_{9}$NdO$_{9}$ 4 44 hP44 $G2_{2}$ A3B9CD9_hP44_186_c_3c_b_cd-001 $P6_3mc$ 186 $G2_{2}$, Enneahydrate
Q0QA Br$_{2}$(H$_{2}$O)$_{6}$O$_{6}$Zn 4 60 cP60 $J1_{10}$ A2B6C6D_cP60_205_c_d_d_a-001 $Pa\overline{3}$ 205 $J1_{10}$
FWL2 Br$_{2}$Hg 2 6 oC12 $C24$ A2B_oC12_36_2a_a-001 $Cmc2_1$ 36 $C24$
0ZSQ BrKO$_{3}$ 3 5 hR5 $G0_{7}$ ABC3_hR5_160_a_a_b-001 $R3m$ 160 $G0_{7}$
RMGB Br$_{7}$KW$_{3}$ 3 90 cP90 A28B5C12_cP90_201_e2h_bd_h-001 $Pn\overline{3}$ 201
HL9W Br$_{5}$(NH$_{4}$)Pb$_{2}$ 3 16 tI32 $K3_{4}$ A5BC2_tI32_140_bl_a_h-001 $I4/mcm$ 140 $K3_{4}$ (Erroneous)
REV7 Br$_{5}$(NH$_{4}$)Pb$_{2}$ 3 16 tI32 $K3_{4}$ A5BC2_tI32_140_cl_a_h-001 $I4/mcm$ 140 $K3_{4}$ (Revised)
G8GD Br$_{2}$Sr 2 30 tP30 A2B_tP30_85_ab2g_cg-001 $P4/n$ 85 α-SrBr$_{2}$
NJ0X Br$_{2}$Sr 2 12 oP12 $C53$ A2B_oP12_62_2c_c-010 $Pnma$ 62 $C53$ (Obsolete)
1BYJ C 1 6 hP6 A_hP6_194_h-001 $P6_3/mmc$ 194 Model Structure
3VYE C 1 240 cP240 A_cP240_205_10d-001 $Pa\overline{3}$ 205 Buckminsterfullerene
4AMD C 1 4 hP4 A_hP4_194_f-001 $P6_3/mmc$ 194 Lonsdaleite
F6SX C 1 4 hP4 A_hP4_186_ab-001 $P6_3mc$ 186 Buckled Graphite
HZJ9 C 1 12 tP12 A_tP12_138_bi-001 $P4_2/ncm$ 138 T12, Theory
MTF0 C 1 8 mC16 A_mC16_12_4i-001 $C2/m$ 12 M-carbon (Theory)
NXUA C 1 2 hR2 A_hR2_166_c-002 $R\overline{3}m$ 166 Rhombohedral Graphite
QPSD C 1 16 oP16 A_oP16_55_2g2h-001 $Pbam$ 55 R-carbon (Theory)
TE0L C 1 4 tI8 A_tI8_139_h-001 $I4/mmm$ 139 Hypothetical
TV0E C 1 60 cF240 A_cF240_202_h2i-001 $Fm\overline{3}$ 202 Buckminsterfullerene
W4SC C 1 4 hP4 $A9$ A_hP4_194_bc-001 $P6_3/mmc$ 194 $A9$, Graphite
WPN9 C 1 8 cF32 A_cF32_227_e-001 $Fd\overline{3}m$ 227 T-Carbon
X5M8 C 1 2 cF8 $A4$ A_cF8_227_a-001 $Fd\overline{3}m$ 227 $A4$, Diamond
XRQ1 C 1 8 mP8 A_mP8_10_2m2n-001 $P2/m$ 10 S-carbon (Theory)
2JVM C$_{2}$Ca 2 6 mC12 A2B_mC12_12_2i_i-004 $C2/m$ 12 CaC$_{2}$-III
RDQF C$_{2}$Ca 2 3 tI6 $C11_{a}$ A2B_tI6_139_e_a-001 $I4/mmm$ 139 $C11_{a}$
3V4Q C$_{2}$Ca$_{3}$F$_{3}$NaO$_{7}$ 5 48 hP48 A2B3C3DE7_hP48_145_2a_3a_3a_a_7a-001 $P3_2$ 145 Sheldrickite
RRH1 C$_{4}$CaH$_{8}$O$_{7}$ 4 80 oP80 A4BC8D7_oP80_19_4a_a_8a_7a-001 $P2_12_12_1$ 19 Ca-Malate-dihydrate
WCJU C$_{2}$CaMgO$_{6}$ 4 10 hR10 $G1_{1}$ A2BCD6_hR10_148_c_a_b_f-001 $R\overline{3}$ 148 $G1_{1}$, Dolomite
1B5F C$_{3}$CaMg$_{3}$O$_{12}$ 4 20 hR20 A4BC3D12_hR20_155_ad_b_e_2df-001 $R32$ 155 Huntite
LCWU CCaO$_{3}$ 3 26 hP26 A3BC9_hP26_194_h_a_hk-001 $P6_3/mmc$ 194 Hexagonal Vaterite
RGRE CCaO$_{3}$ 3 20 oP20 ABC3_oP20_62_c_a_cd-001 $Pnma$ 62 Vaterite
UVUF CCaO$_{3}$ 3 10 hR10 $G0_{1}$ ABC3_hR10_167_a_b_e-002 $R\overline{3}c$ 167 $G0_{1}$, Calcite
G8WV CCeCr$_{2}$Si$_{2}$ 4 6 tP6 ABC2D2_tP6_123_b_a_e_h-001 $P4/mmm$ 123
XFRG CCeFO$_{3}$ 4 36 hP36 $G7_{1}$ ABCD3_hP36_190_h_g_af_hi-001 $P\overline{6}2c$ 190 $G7_{1}$, Bastnäsite
37DH C$_{2}$CeNi 3 4 oC8 A2BC_oC8_38_d_b_a-001 $Amm2$ 38
7TV0 C$_{6}$Cl$_{6}$ 2 24 mP24 AB_mP24_14_3e_3e-001 $P2_1/c$ 14 ε-Hexachloro{\em cyclo}hexane
LH7J C$_{2}$ClCoNa$_{3}$O$_{6}$ 5 52 cF208 A2BCD3E6_cF208_203_e_c_d_f_g-001 $Fd\overline{3}$ 203 Pyrochlore
TXX6 C$_{7}$ClFeH$_{15}$NO$_{8}$ 6 444 hP444 A7BCD15EF12_hP444_177_7n_n_jl_15n_n_12n-001 $P622$ 177
8XP6 C$_{2}$ClMgNa$_{3}$O$_{6}$ 5 52 cF208 $G7_{3}$ A2BCD3E6_cF208_227_e_c_d_f_g-001 $Fd\overline{3}m$ 227 $G7_{3}$, Northupite (Obsolete)
Z1TY CClN 3 6 oP6 ABC_oP6_59_a_a_a-001 $Pmmn$ 59
EHTG CClO 3 24 oP24 ABC_oP24_61_c_c_c-001 $Pbca$ 61
URTV CCl$_{2}$O$_{3}$Pb$_{2}$ 4 32 tP32 AB2C3D2_tP32_127_g_eh_gk_k-001 $P4/mbm$ 127 Phosgenite
ZUNT CCl$_{2}$O$_{3}$Pb$_{2}$ 4 16 tP16 $G7_{5}$ AB2C3D2_tP16_90_c_f_ce_e-001 $P42_12$ 90 $G7_{5}$, Phosgenite (Obsolete)
7XG8 C$_{4}$CoH$_{4}$O$_{6}$ 4 360 cP360 A4BC4D6_cP360_222_2i_h_2i_3i-001 $Pn\overline{3}n$ 222
8ZWP CCo$_{2}$Mn$_{2}$ 3 5 tP5 AB2C2_tP5_123_b_e_ac-001 $P4/mmm$ 123
6J8K C$_{16}$Co$_{4}$O$_{16}$Sn 4 74 cF296 A16B4C16D_cF296_219_eh_e_eh_a-001 $F\overline{4}3c$ 219
KR8A C$_{4}$CoSc$_{3}$ 3 8 oI16 A4BC3_oI16_71_m_a_bf-001 $Immm$ 71
K32Y C$_{2}$CoU 3 8 tP8 A2BC_tP8_129_2c_a_c-002 $P4/nmm$ 129
JSHF C$_{4}$Co$_{3}$W$_{9}$ 3 32 hP32 A2B3C3_hP32_194_cg_2h_k-001 $P6_3/mmc$ 194
KS86 C$_{2}$Cr$_{3}$ 2 20 oP20 $D5_{10}$ A2B3_oP20_62_2c_3c-001 $Pnma$ 62 $D5_{10}$, Tongbaite
9Z5M C$_{3}$Cr$_{7}$ 2 40 oP40 $D10_{1}$ A3B7_oP40_62_cd_3c2d-001 $Pnma$ 62 $D10_{1}$
EY4X C$_{6}$Cr$_{23}$ 2 29 cF116 $D8_{4}$ A6B23_cF116_225_e_acfh-001 $Fm\overline{3}m$ 225 $D8_{4}$
T338 C$_{8}$Cs 2 27 hP27 A8B_hP27_180_2ik_d-001 $P6_222$ 180
88NV C$_{60}$Cs$_{3}$ 2 64 oI128 A15B_oI128_71_lmn6o_eg-001 $Immm$ 71 Orthorhombic Fullerene
0HGH C$_{6}$Cs$_{2}$FeN$_{6}$Zn 5 64 cP64 A6B2CD6E_cP64_208_m_ad_b_m_c-001 $P4_232$ 208
N4GS C$_{12}$Cu$_{3}$Fe$_{2}$(H$_{2}$O)$_{x}$N$_{12}$ 5 24 cF96 $J2_5$ A6B9CD2E6_cF96_225_e_af_b_c_e-001 $Fm\overline{3}m$ 225 $J2_5$, Prussian Blue Analog
DJ7F C$_{6}$Cu$_{2}$FeN$_{6}$ 3 15 cF60 A12B2C_cF60_196_h_ac_b-001 $F23$ 196
5WNB C$_{14}$CuH$_{8}$O$_{5}$ 4 336 cF1344 A14BC8D5_cF1344_209_7j_g_4j_g2j-001 $F432$ 209 PCN-20
QANU C$_{2}$Cu$_{3}$H$_{2}$O$_{8}$ 4 30 mP30 $G7_{4}$ A2B3C2D8_mP30_14_e_ae_e_4e-001 $P2_1/c$ 14 $G7_{4}$, Azurite
DUCH C$_{2}$CuNa$_{2}$O$_{6}$ 4 22 mP22 A2BC2D6_mP22_14_e_a_e_3e-001 $P2_1/c$ 14 Juangodoyite
ZN4Y C$_{x}$Fe 2 2 tI4 $L'2_{0}$ AB_tI4_139_a_b-002 $I4/mmm$ 139 $L'2_{0}$, ``Martensite Type''
KYLC CFe$_{3}$ 2 16 oP16 $D0_{11}$ AB3_oP16_62_c_cd-001 $Pnma$ 62 $D0_{11}$, Cementite
WNQX CFe$_{4}$ 2 5 cP5 AB4_cP5_215_a_e-001 $P\overline{4}3m$ 215
KKZD C$_{2}$FeH$_{6}$MgNaO$_{7}$ 6 96 hR96 A6BC18DEF21_hR96_161_2b_a_6b_a_a_7b-001 $R3c$ 161 Stepanovite
EK6P C$_{17}$FeH$_{17}$O$_{4}$Pt 4 184 tP184 A17BC4D_tP184_89_17p_p_4p_il-001 $P422$ 89 No hydrogen locations
HZJM C$_{17}$FeH$_{17}$O$_{4}$Pt 5 320 tP320 A17BC17D4E_tP320_89_17p_p_17p_4p_il-001 $P422$ 89 Hydrogen atoms located
858V C$_{9}$Fe$_{2}$O$_{9}$ 3 40 hP40 $F4_{1}$ A9B2C9_hP40_176_hi_f_hi-001 $P6_3/m$ 176 $F4_{1}$
UF5S CFe$_{2}$SiTh 4 10 oC20 AB2CD_oC20_63_a_f_c_c-001 $Cmcm$ 63
WVM5 CFe$_{3}$W$_{3}$ 3 28 cF112 $E9_{3}$ AB3C3_cF112_227_c_de_f-001 $Fd\overline{3}m$ 227 $E9_{3}$, η-Carbide
7LZP C$_{2}$H$_{3}$ 1 12 aP12 A_aP12_2_6i-001 $P\overline{1}$ 2 Hexamethylbenzene II
PWJE C$_{6}$H$_{6}$ 2 48 oP48 AB_oP48_61_3c_3c-001 $Pbca$ 61 Benzene
7NVJ C$_{7}$H$_{8}$ 2 120 oP120 A7B8_oP120_60_7d_8d-001 $Pbcn$ 60 β-Toluene
NQ3P C$_{7}$H$_{8}$ 2 120 mP120 A7B8_mP120_14_14e_16e-001 $P2_1/c$ 14 α-Toluene
8Z24 C$_{8}$H$_{8}$ 2 16 hR16 AB_hR16_148_cf_cf-001 $R\overline{3}$ 148 Cubane
C9KZ C$_{11}$H$_{7}$ 2 72 aP72 A11B7_aP72_2_22i_14i-001 $P\overline{1}$ 2 Pentacene
BH4W C$_{8}$H$_{4}$K$_{4}$MoN$_{8}$O$_{2}$ 6 108 oP108 $F2_{1}$ A8B4C4DE8F2_oP108_62_4c2d_2d_2cd_c_4c2d_d-001 $Pnma$ 62 $F2_{1}$
0UZV C$_{6}$H$_{4}$K$_{2}$N$_{6}$O$_{2}$PtS$_{6}$ 7 54 mP54 A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e-001 $P2_1/c$ 14
K3UE CH$_{4}$N$_{2}$O$_{2}$ 4 72 oP72 AB4C2D2_oP72_61_c_4c_2c_2c-001 $Pbca$ 61 O-Carbamoylhydroxylamine
XWQW CH$_{4}$N$_{2}$O$_{2}$ 4 36 mP36 AB4C2D2_mP36_14_e_4e_2e_2e-001 $P2_1/c$ 14 N-Hydroxyurea
EY4Y C$_{7}$H$_{5}$N$_{3}$O$_{6}$ 4 168 oP168 A7B5C3D6_oP168_29_14a_10a_6a_12a-001 $Pca2_1$ 29 2-4-6 Trinitrotoluene
MUZR C$_{7}$H$_{5}$N$_{3}$O$_{6}$ 4 168 mP168 A7B5C3D6_mP168_14_14e_10e_6e_12e-001 $P2_1/c$ 14 2-4-6 Trinitrotoluene
UX1J C$_{2}$H$_{2}$N$_{2}$OS$_{2}$ 5 36 mC72 A2B2C2DE2_mC72_15_2f_2f_2f_f_2f-001 $C2/c$ 15 Rhodan Hydrate
6QN7 C$_{30}$H$_{30}$N$_{8}$O$_{8}$Zn 5 308 mP308 A30B30C8D8E_mP308_14_30e_30e_8e_8e_e-001 $P2_1/c$ 14 Zinc Benzoato Caffeine
KV55 CHNaO$_{3}$ 4 24 mP24 $G0_{12}$ ABCD3_mP24_14_e_e_e_3e-001 $P2_1/c$ 14 $G0_{12}$, Nacolite
WTTR C$_{5}$H$_{11}$NaO$_{8}$S 5 26 aP26 A5B11CD8E_aP26_1_5a_11a_a_8a_a-001 $P1$ 1
0Y6Q C$_{2}$HO$_{2}$ 3 20 mP20 A2BC2_mP20_11_4e_2e_4e-001 $P2_1/m$ 11 Squaric Acid
K9SN CH$_{2}$O 3 80 oP80 AB2C_oP80_19_5a_10a_5a-001 $P2_12_12_1$ 19 β-Arabinose
RBDM C$_{2}$H$_{2}$O$_{5}$Rb$_{2}$ 4 18 mC36 A2BC4D2_mC36_15_f_e_2f_f-001 $C2/c$ 15
05M4 C$_{2}$HgN$_{2}$ 3 20 tI40 $F1_{1}$ A2BC2_tI40_122_e_d_e-001 $I\overline{4}2d$ 122 $F1_{1}$, Mercury Cyanide
54ZJ C$_{60}$K$_{3}$ 2 123 cF492 A40B_cF492_225_j2l_ac-001 $Fm\overline{3}m$ 225 fcc Fullerene
RARL C$_{4}$K$_{2}$N$_{4}$Ni 4 22 mP22 A4B2C4D_mP22_14_2e_e_2e_a-001 $P2_1/c$ 14
K4A8 CKNS 4 16 oP16 $F5_{9}$ ABCD_oP16_57_d_c_d_d-001 $Pbcm$ 57 $F5_{9}$
5CQR C$_{2}$LaRh 3 16 tP16 A2BC_tP16_76_2a_a_a-001 $P4_1$ 76
5K3T CLi$_{2}$N$_{2}$ 3 5 tI10 AB2C2_tI10_139_a_d_e-002 $I4/mmm$ 139
JF5W CLi$_{2}$O$_{3}$ 3 12 mC24 AB2C3_mC24_15_e_f_ef-001 $C2/c$ 15 Zabuyelite
LJXD C$_{4}$Mg$_{2}$Na$_{6}$O$_{16}$S 5 58 cF232 A4B2C6D16E_cF232_203_e_c_f_eg_b-001 $Fd\overline{3}$ 203 Tychite
Y05P C$_{4}$Mg$_{2}$Na$_{6}$O$_{16}$S 5 58 cF232 $H5_{6}$ A4B2C6D16E_cF232_227_e_c_f_eg_b-001 $Fd\overline{3}m$ 227 $H5_{6}$, Tychite (Obsolete)
Q5G8 CMo 2 12 hP12 AB_hP12_194_af_bf-001 $P6_3/mmc$ 194
69FA C$_{2}$MoU 3 16 oP16 A2BC_oP16_62_2c_c_c-003 $Pnma$ 62
NEGW CN 2 16 oP16 AB_oP16_61_c_c-002 $Pbca$ 61 Cyanogen
LCVR CO 2 8 cP8 $B21$ AB_cP8_198_a_a-001 $P2_13$ 198 $B21$, α-Co
V77F COS 3 3 hR3 $F0_{2}$ ABC_hR3_160_a_a_a-001 $R3m$ 160 $F0_{2}$
M1ZX C$_{3}$Pu$_{2}$ 2 20 cI40 $D5_{c}$ A3B2_cI40_220_d_c-001 $I\overline{4}3d$ 220 $D5_{c}$
2TGL C$_{4}$RhSc$_{3}$ 3 16 mC32 A4BC3_mC32_12_2j_i_ghi-002 $C2/m$ 12
PVAV C$_{19}$Sc$_{15}$ 2 68 tP68 A19B15_tP68_114_ac4e_bc3e-001 $P\overline{4}2_1c$ 114
FSH2 CSi 2 8 hP8 $B5$ AB_hP8_186_ab_ab-001 $P6_3mc$ 186 $B5$, 4H Moissanite
KX5G CSi 2 10 hR10 $B7$ AB_hR10_160_5a_5a-001 $R3m$ 160 $B7$, 15R Moissanite
T8Y7 CSi 2 6 hR6 AB_hR6_160_3a_3a-001 $R3m$ 160 9R Moissanite
SKBR C$_{2}$Th 2 6 mC12 A2B_mC12_15_f_e-001 $C2/c$ 15
PR5K CTi$_{2}$ 2 12 cF48 AB2_cF48_227_c_e-001 $Fd\overline{3}m$ 227
V1KT C$_{5}$V$_{6}$ 2 33 hP33 A5B6_hP33_151_3a2b_3c-001 $P3_112$ 151
X4K0 CW 2 2 hP2 $B_{h}$ AB_hP2_187_a_d-001 $P\overline{6}m2$ 187 $B_{h}$
N45M CaC$_{6}$ 2 7 hR7 A6B_hR7_166_f_b-001 $R\overline{3}m$ 166
7S19 CaCO$_{3}$ 3 20 oP20 $G0_{2}$ ABC3_oP20_62_c_c_cd-003 $Pnma$ 62 $G0_{2}$, Aragonite
YTPF CaCl$_{2}$ 2 6 oP6 $C35$ AB2_oP6_58_a_g-001 $Pnnm$ 58 $C35$, Hydrophilite
UT10 CaCrMnO$_{6}$Sb 5 40 tP40 ABCD6E_tP40_86_e_c_ab_3g_d-001 $P4_2/n$ 86 Double-Double Perovskite
F7Y6 CaCu$_{5}$ 2 6 hP6 $D2_{d}$ AB5_hP6_191_a_cg-001 $P6/mmm$ 191 $D2_{d}$
RGPS CaCu$_{3}$Mn$_{4}$O$_{12}$ 4 20 cI40 AB3C4D12_cI40_204_a_b_c_g-001 $Im\overline{3}$ 204 Double Perovskite
ACQJ CaCuO$_{2}$ 3 4 tP4 ABC2_tP4_123_a_d_e-001 $P4/mmm$ 123
74YK CaCu$_{6}$O$_{18}$P$_{4}$Rb$_{2}$ 5 31 mC62 AB6C18D4E2_mC62_5_b_2a2c_9c_2c_c-001 $C2$ 5
SFS1 CaCu$_{4}$P$_{2}$ 3 7 hR7 AB4C2_hR7_166_a_2c_c-001 $R\overline{3}m$ 166
8VXQ CaF$_{2}$ 2 3 cF12 $C1$ AB2_cF12_225_a_c-001 $Fm\overline{3}m$ 225 $C1$, Fluorite
DPWF Ca$_{4}$FH$_{16}$KO$_{28}$Si$_{8}$ 6 116 tP116 $S5_{2}$ A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i-001 $P4/mnc$ 128 $S5_{2}$, Apophyllite
KHCK Ca$_{5}$FO$_{12}$P 4 42 hP42 $H5_{7}$ A5BC12D3_hP42_176_fh_a_2hi_h-001 $P6_3/m$ 176 $H5_{7}$, Fluorapatite
8XTL CaFe$_{3}$O$_{5}$ 3 18 oC36 AB3C5_oC36_63_c_af_c2f-001 $Cmcm$ 63
8HU9 CaFe$_{4}$O$_{6}$ 3 22 oC44 AB4C6_oC44_63_c_2f_ac2f-001 $Cmcm$ 63
KAT1 CaFe$_{5}$O$_{7}$ 3 26 oC52 AB5C7_oC52_63_c_a2f_c3f-001 $Cmcm$ 63
5WH8 CaFeO$_{6}$Si$_{2}$ 4 20 mC40 ABC6D2_mC40_15_e_e_3f_f-001 $C2/c$ 15 Esseneite
JZ3U Ca$_{5}$Ga$_{2}$As$_{6}$ 3 26 oP26 A6B5C2_oP26_55_g2h_a2g_h-001 $Pbam$ 55
CAN8 Ca$_{7}$Ge 2 8 cF32 A7B_cF32_225_ad_b-001 $Fm\overline{3}m$ 225
N2LT CaH$_{6}$ 2 7 cI14 AB6_cI14_229_a_d-001 $Im\overline{3}m$ 229 HP
BQ7Y Ca$_{2}$H$_{2}$Mg$_{5}$O$_{24}$Si$_{8}$ 5 41 mC82 $S4_{2}$ A2B2C5D24E8_mC82_12_h_i_agh_2i5j_2j-001 $C2/m$ 12 $S4_{2}$, Tremolite
PYMC CaH$_{22}$O$_{23}$P$_{2}$U$_{2}$ 5 200 oP200 AB22C23D2E2_oP200_62_c_11d_3c10d_d_d-001 $Pnma$ 62 Autunite
8924 CaH$_{4}$O$_{6}$S 4 24 mC48 $H4_{6}$ AB4C6D_mC48_15_e_2f_3f_e-001 $C2/c$ 15 $H4_{6}$, Gypsum
SQ16 CaH$_{12}$Y 3 14 cP14 AB12C_cP14_221_a_h_b-001 $Pm\overline{3}m$ 221 Predicted HP
ZN0T Ca$_{2}$(H$_{2}$O)$_{6}$MgO$_{8}$ 4 34 oP34 $H4_{11}$ A2B6CD8_oP34_31_2a_2a2b_a_4a2b-001 $Pmn2_1$ 31 $H4_{11}$
QCQG Ca(H$_{2}$O)$_{8}$O$_{2}$ 3 22 tP22 AB8C2_tP22_124_a_n_h-001 $P4/mcc$ 124
VQBJ Ca(H$_{2}$O)$_{6}$O$_{6}$P$_{2}$U$_{2}$ 5 26 tP26 $H5_{10}$ AB4C6DE_tP26_129_c_j_2ci_a_c-001 $P4/nmm$ 129 $H5_{10}$, Meta-Autunite (I)
Q14S Ca(H$_{2}$O)$_{0.5}$O$_{4}$S 4 45 mC90 $H4_{7}$ A2B2C9D2_mC90_5_ab2c_3c_a13c_3c-001 $C2$ 5 $H4_{7}$, Bassanite
SC3Z Ca(H$_{2}$O)$_{10.5}$(PO$_{4}$)$_{2}$(UO$_{2}$)$_{2}$ 3 5 tI10 $H5_{9}$ AB2C2_tI10_139_a_d_e-003 $I4/mmm$ 139 $H5_{9}$, Autunite (Obsolete)
4XVN Ca$_{3}$I$_{3}$P 3 28 cI56 A3B3C_cI56_214_g_h_a-001 $I4_132$ 214
21YK CaIn$_{2}$ 2 6 hP6 AB2_hP6_194_b_f-001 $P6_3/mmc$ 194
DZ16 Ca$_{11}$InSb$_{9}$ 3 42 oI84 A11BC9_oI84_45_a5c_a_b4c-001 $Iba2$ 45
8TFL Ca$_{5}$Ir$_{3}$O$_{12}$ 3 20 hP20 A5B3C12_hP20_189_dg_f_2gj-001 $P\overline{6}2m$ 189
TYTV CaMgO$_{4}$Si 4 28 oP28 ABC4D_oP28_62_c_a_2cd_c-001 $Pnma$ 62 Monticellite
J45L CaMgO$_{6}$Si$_{2}$ 4 20 mC40 $S4_{1}$ ABC6D2_mC40_15_e_e_3f_f-002 $C2/c$ 15 $S4_{1}$, Diopside
QV01 Ca$_{2}$MgO$_{7}$Si 4 24 tP24 $S5_{3}$ A2BC7D2_tP24_113_e_a_cef_e-001 $P\overline{4}2_1m$ 113 $S5_{3}$ Akermanite
JHY5 CaMnSb$_{2}$ 3 16 oP16 ABC2_oP16_62_c_c_2c-003 $Pnma$ 62
MFVM CaNa$_{2}$O$_{4}$Si 4 32 cP32 $S6_{6}$ AB2C4D_cP32_198_a_2a_ab_a-001 $P2_13$ 198 $S6_{6}$
5V2T Ca$_{6}$Na$_{2}$O$_{15}$Si$_{4}$ 4 54 mP54 A6B2C15D4_mP54_7_6a_2a_15a_4a-001 $Pc$ 7
9VRC Ca$_{2}$O$_{7}$P$_{2}$ 3 44 mP44 A2B7C2_mP44_14_2e_7e_2e-001 $P2_1/c$ 14 α-Ca$_{2}$P$_{2}$O$_{7}$
BAJJ Ca$_{2}$O$_{7}$P$_{2}$ 3 88 tP88 A2B7C2_tP88_76_4a_14a_4a-001 $P4_1$ 76 β-Ca$_{2}$P$_{2}$O$_{7}$
NDWA Ca$_{2}$O$_{4}$Ru 3 28 oP28 A2B4C_oP28_61_c_2c_a-001 $Pbca$ 61
89U5 CaO$_{3}$Si 3 30 aP30 AB3C_aP30_2_3i_9i_3i-001 $P\overline{1}$ 2 Wollastonite
XADC CaO$_{3}$Si 3 60 mP60 $S3_{3}$(II) AB3C_mP60_14_3e_9e_3e-001 $P2_1/c$ 14 $S3_{3}$(II), Parawollastonite
EHW6 CaO$_{4}$Si 3 12 oC24 $H0_{1}$ AB4C_oC24_63_c_fg_c-001 $Cmcm$ 63 $H0_{1}$ Anhydrite
1R45 Ca$_{2}$O$_{4}$Si 3 52 oP52 A4B8C_oP52_62_2d_4d_c-001 $Pnma$ 62 $\alpha_{H}'$-Ca$_{2}$SiO$_{4}$
2RUZ Ca$_{2}$O$_{4}$Si 3 84 oP84 A2B4C_oP84_33_6a_12a_3a-001 $Pna2_1$ 33 $\alpha_{L}'$-Ca$_{2}$SiO$_{4}$
CEQR Ca$_{2}$O$_{4}$Si 3 32 hP32 A3B12C_hP32_194_af_2k_c-001 $P6_3/mmc$ 194 Hexagonal α-Ca$_{2}$SiO$_{4}$
DBUP Ca$_{2}$O$_{4}$Si 3 14 hP14 A2B4C_hP14_164_abd_di_d-001 $P\overline{3}m1$ 164 Trigonal α-Ca$_{2}$SiO$_{4}$
QE0P Ca$_{2}$O$_{4}$Si 3 28 mP28 A2B4C_mP28_14_2e_4e_e-001 $P2_1/c$ 14 Larnite
EDTK CaO$_{5}$SiTi 4 16 mC32 $S0_{6}$ AB5CD_mC32_15_e_e2f_e_a-001 $C2/c$ 15 $S0_{6}$, Titanite
07R8 CaO$_{4}$Ta$_{2}$ 3 36 oP36 AB6C2_oP36_62_c_2c2d_d-001 $Pnma$ 62 Rynersonite
2KF1 CaO$_{3}$Ti 3 20 oP20 AB3C_oP20_62_c_cd_a-001 $Pnma$ 62 Orthorhombic Perovskite
FD1H Ca$_{3}$O$_{7}$Ti$_{2}$ 3 24 oC48 A3B7C2_oC48_36_ab_a3b_b-001 $Cmc2_1$ 36
R6BH Ca$_{4}$O$_{10}$Ti$_{3}$ 3 68 oP68 A4B10C3_oP68_61_2c_5c_ac-001 $Pbca$ 61
MMVG CaO$_{4}$U 3 6 hR6 AB4C_hR6_166_a_2c_b-001 $R\overline{3}m$ 166
E7S8 Ca$_{2}$O$_{5}$U 3 32 mP32 A2B5C_mP32_14_2e_5e_ab-001 $P2_1/c$ 14
T9UP Ca$_{3}$O$_{6}$U 3 20 mP20 A3B6C_mP20_4_3a_6a_a-001 $P2_1$ 4
Y9T0 CaO$_{4}$W 3 12 tI24 $H0_{4}$ AB4C_tI24_88_a_f_b-003 $I4_1/a$ 88 $H0_{4}$, Scheelite
XPM6 Ca$_{5}$Pb$_{3}$ 2 48 hP48 A5B3_hP48_186_3cd_3c-001 $P6_3mc$ 186
5Q2X CaSb$_{2}$ 2 6 mP6 AB2_mP6_11_e_2e-001 $P2_1/m$ 11
85MW CaSi$_{2}$ 2 6 hR6 $C12$ AB2_hR6_166_c_2c-002 $R\overline{3}m$ 166 $C12$
QUKL CaTiO$_{3}$ 3 5 cP5 $E2_1$ AB3C_cP5_221_a_c_b-001 $Pm\overline{3}m$ 221 $E2_1$, Cubic Perovskite
D917 Cd$_{37}$Ce$_{6}$ 2 188 cP188 A41B6_cP188_201_b2efg5h_h-001 $Pn\overline{3}$ 201
TKCJ CdCl$_{2}$ 2 3 hR3 AB2_hR3_166_a_c-004 $R\overline{3}m$ 166
R9CA CdClHO 4 8 hP8 $E0_{3}$ ABCD_hP8_186_b_b_a_a-001 $P6_3mc$ 186 $E0_{3}$
Z6H8 CdCl$_{3}$(NH$_{4}$) 3 20 oP20 $E2_{4}$ AB3C_oP20_62_c_3c_c-001 $Pnma$ 62 $E2_{4}$
ZP3W Cd$_{4}$GeS$_{6}$ 3 22 mC44 A4BC6_mC44_9_4a_a_6a-001 $Cc$ 9
RB89 CdGeTe$_{4}$Tl$_{2}$ 4 8 tI16 ABC4D2_tI16_121_a_b_i_c-001 $I\overline{4}2m$ 121
VXAE Cd$_{3}$H$_{16}$O$_{20}$S$_{3}$ 4 84 mC168 $H4_{20}$ A3B16C20D3_mC168_15_ef_8f_10f_ef-001 $C2/c$ 15 $H4_{20}$
0FK1 CdI$_{2}$ 2 9 hP9 AB2_hP9_156_2ab_a2b3c-001 $P3m1$ 156
32EZ CdI$_{2}$ 2 3 hP3 $C6$ AB2_hP3_164_a_d-001 $P\overline{3}m1$ 164 $C6$ ω
G4EJ CdI$_{2}$ 2 6 hP6 $C27$ AB2_hP6_186_b_ab-001 $P6_3mc$ 186 $C27$ ({\em Questionable})
K8N1 CdK$_{2}$Pb 3 8 oC16 AB2C_oC16_40_a_2b_b-001 $Ama2$ 40
575A CdKSe$_{4}$ 3 12 tP12 ABC4_tP12_125_a_b_m-001 $P4/nbm$ 125
J1AT CdLi$_{2}$O$_{4}$Si 4 32 oP32 AB2C4D_oP32_62_c_d_2cd_c-001 $Pnma$ 62
71CA Cd$_{2}$O$_{7}$Re$_{2}$ 3 22 oF88 A2B7C2_oF88_22_k_acefghij_k-001 $F222$ 22 Predicted Phase IV
AZDB Cd$_{2}$O$_{7}$Re$_{2}$ 3 22 tI44 A2B7C2_tI44_119_i_acefgh_i-001 $I\overline{4}m2$ 119 Phase II
XLYF Cd$_{2}$O$_{7}$Re$_{2}$ 3 22 tI44 A2B7C2_tI44_98_f_acde_f-001 $I4_122$ 98 Phase III
L3ZV CdP$_{4}$ 2 10 mP10 AB4_mP10_14_a_2e-001 $P2_1/c$ 14
LZG8 CdP$_{14}$Sn 3 64 oP64 AB14C_oP64_62_c_4c5d_c-001 $Pnma$ 62
JBK1 CdPt$_{3}$ 2 4 oC8 $L1_{3}$ AB3_oC8_65_a_bf-001 $Cmmm$ 65 $L1_{3}$
RL87 CdSb 2 16 oP16 $B_{e}$ AB_oP16_61_c_c-001 $Pbca$ 61 $B_{e}$
LZ4J Cd$_{45}$Sm$_{11}$ 2 112 cF448 A45B11_cF448_216_ac4efg5h_bd2eh-001 $F\overline{4}3m$ 216
CPSQ CdTe 2 2 oP2 AB_oP2_25_a_b-001 $Pmm2$ 25 19.3 GPa
HYXN Cd$_{6}$Y 2 92 cI184 A20B3_cI184_204_def3gh_g-001 $Im\overline{3}$ 204
D6S6 Ce$_{24}$Co$_{11}$ 2 70 hP70 A24B11_hP70_186_2ab7c_ab3c-001 $P6_3mc$ 186
237T CeCu$_{2}$ 2 6 oI12 AB2_oI12_74_e_h-001 $Imma$ 74
1ALT CeGa$_{6}$Pd 3 8 tP8 AB6C_tP8_123_a_hi_b-001 $P4/mmm$ 123
N56L Ce$_{7}$Ge$_{2}$Pd$_{4}$ 3 52 mP52 A7B2C4_mP52_14_7e_2e_4e-001 $P2_1/c$ 14
B62K CeH$_{9}$ 2 20 hP20 AB9_hP20_194_c_bfk-001 $P6_3/mmc$ 194
7DQQ Ce$_{3}$In$_{11}$Pd 3 15 tP15 A3B11C_tP15_123_ag_ch2i_b-001 $P4/mmm$ 123
RR9W Ce$_{5}$In$_{19}$Pd$_{2}$ 3 26 tP26 A5B19C2_tP26_123_a2g_ce2h3i_g-001 $P4/mmm$ 123
P6JF CeIn$_{7}$Pt$_{2}$ 3 10 tI20 AB7C2_tI20_139_a_bdg_e-001 $I4/mmm$ 139
3NUA Ce$_{5}$Mo$_{3}$O$_{16}$ 3 96 cP96 A5B3C16_cP96_222_ce_d_fi-001 $Pn\overline{3}n$ 222
LZ7C Ce$_{3}$N$_{11}$Si$_{6}$ 3 40 tP40 A3B11C6_tP40_100_ac_bc2d_cd-001 $P4bm$ 100
1SSV CeNi$_{3}$ 2 24 hP24 AB3_hP24_194_cf_abdk-001 $P6_3/mmc$ 194
A0TL Ce$_{2}$Ni$_{7}$ 2 36 hP36 A2B7_hP36_194_2f_aefhk-001 $P6_3/mmc$ 194
BC5E Ce$_{3}$Ni$_{6}$Si$_{2}$ 3 22 cI44 A3B6C2_cI44_229_e_h_c-001 $Im\overline{3}m$ 229
QL18 CeO$_{4}$P 3 18 hP18 AB4C_hP18_180_c_k_d-001 $P6_222$ 180 Rhadophane
FG79 Ce$_{2}$O$_{2}$S 3 5 hP5 A2B2C_hP5_164_d_d_a-002 $P\overline{3}m1$ 164
CLMU Ce$_{8}$Pd$_{24}$Sb 3 33 cP33 A8B24C_cP33_221_g_efh_a-001 $Pm\overline{3}m$ 221
WA7J CeTe$_{3}$ 2 8 oC16 AB3_oC16_40_b_3b-001 $Ama2$ 40
G18C Cf 1 4 aP4 A_aP4_2_aci-001 $P\overline{1}$ 2 30-40 GPa
ZBJR Cl 1 16 tP16 $A18$ A_tP16_138_j-001 $P4_2/ncm$ 138 $A18$
GHEH Cl$_{5}$CoCs$_{3}$ 3 18 tI36 $K3_{1}$ A5BC3_tI36_140_cl_b_ah-001 $I4/mcm$ 140 $K3_{1}$
5EPG Cl$_{3}$Cr 2 24 hP24 $D0_{4}$ A3B_hP24_151_3c_2a-001 $P3_112$ 151 $D0_{4}$
Z0S9 Cl$_{3}$Cr 2 24 hP24 A3B_hP24_153_3c_2a-001 $P3_212$ 153
77Z6 Cl$_{9}$Cr$_{2}$Cs$_{3}$ 3 28 hP28 A9B2C3_hP28_194_hk_f_bf-001 $P6_3/mmc$ 194
19XK Cl$_{5}$CrCuH$_{18}$N$_{6}$ 4 104 cF416 A5BCD6_cF416_228_eg_c_b_h-001 $Fd\overline{3}c$ 228
QM6B ClCs 2 2 cP2 $B2$ AB_cP2_221_a_b-002 $Pm\overline{3}m$ 221 $B2$
8791 Cl$_{3}$CsCu 3 30 hP30 A3BC_hP30_178_bc_b_a-001 $P6_122$ 178
7M03 Cl$_{9}$Cs$_{3}$Tl$_{2}$ 3 28 hR28 $K7_{2}$ A9B3C2_hR28_167_ef_e_c-001 $R\overline{3}c$ 167 $K7_{2}$
F4G8 ClCu 2 16 cP16 AB_cP16_205_c_c-001 $Pa\overline{3}$ 205 SC16 CuCl
PNDR Cl$_{2}$Cu 2 3 mC6 A2B_mC6_12_i_a-001 $C2/m$ 12 Tolbachite
40BA Cl$_{4}$CuH$_{4}$K$_{2}$O$_{2}$ 5 26 tP26 $H4_{1}$ A4BC4D2E2_tP26_136_fg_a_j_d_e-001 $P4_2/mnm$ 136 $H4_{1}$
CH4P ClCuHO 4 16 mP16 ABCD_mP16_14_e_e_e_e-001 $P2_1/c$ 14
UFSK Cl$_{2}$CuH$_{4}$O$_{2}$ 4 18 oP18 $C45$ A2BC4D2_oP18_53_h_a_i_e-001 $Pmna$ 53 $C45$, Eriochalcite
1PRT Cl$_{3}$Cu$_{3}$H$_{6}$O$_{6}$Y 5 21 hP21 ABC2D2E_hP21_164_bd_e_i_i_ac-001 $P\overline{3}m1$ 164
GGPS Cl$_{3}$Cu$_{9}$H$_{19}$O$_{19}$Y$_{3}$ 5 63 hR63 A8B9C24D19E3_hR63_148_cf_df_4f_a3f_bc-001 $R\overline{3}$ 148
4QUY ClCu$_{2}$H$_{2}$O$_{3}$ 4 36 oP36 AB2C3D3_oP36_62_c_ac_cd_cd-001 $Pnma$ 62 Atacamite
M9HY Cl$_{3}$CuK 3 20 mP20 A3BC_mP20_14_3e_e_e-001 $P2_1/c$ 14 Sanguite
WK7H Cl$_{3}$CuK$_{2}$ 3 24 oP24 A3BC2_oP24_62_3c_c_2c-001 $Pnma$ 62
HF2G Cl$_{7}$CuMo$_{3}$ 3 88 cP88 A7BC3_cP88_201_e2h_e_h-001 $Pn\overline{3}$ 201
0HCF Cl$_{2}$CuO$_{2}$Sr$_{2}$ 4 7 tI14 A2BC2D2_tI14_139_e_a_c_e-001 $I4/mmm$ 139
K216 Cl$_{2}$Cu$_{3}$(OH)$_{6}$Zn 4 12 hP12 A2B3C6D_hP12_164_d_e_i_a-001 $P\overline{3}m1$ 164 Kapellasite
4D8B ClF$_{3}$ 2 32 mP32 AB3_mP32_14_2e_6e-001 $P2_1/c$ 14 Monoclinic ClF$_{3}$
AZN3 ClF$_{3}$ 2 16 oP16 AB3_oP16_62_c_cd-005 $Pnma$ 62 Orthorhombic ClF$_{3}$
8Y3K ClFNa$_{6}$O$_{8}$S$_{2}$ 5 18 cF72 $H5_{8}$ ABC6D8E2_cF72_225_a_b_e_f_c-001 $Fm\overline{3}m$ 225 $H5_{8}$, Sulphohalite
0VRY ClFPb 3 6 tP6 $E0_{1}$ ABC_tP6_129_c_a_c-001 $P4/nmm$ 129 $E0_{1}$, Matlockite
PYAM Cl$_{6}$FeK$_{3}$Na 4 22 hR22 A6BC3D_hR22_167_f_b_e_a-001 $R\overline{3}c$ 167 Rinneite
DN69 ClFeO 3 6 oP6 $E0_{5}$ ABC_oP6_59_a_b_a-001 $Pmmn$ 59 $E0_{5}$
PL6D Cl$_{2}$Ga 2 24 oP24 A2B_oP24_52_2e_cd-001 $Pnna$ 52 HP
TUQ7 Cl$_{3}$Gd$_{2}$ 2 10 mC20 A3B2_mC20_12_3i_2i-002 $C2/m$ 12
SAL5 ClH 2 4 oC8 AB_oC8_36_a_a-001 $Cmc2_1$ 36 LT
1EYW ClH$_{3}$ 2 16 mP16 AB3_mP16_10_mn_3m3n-001 $P2/m$ 10 HP, Theory
QYSB ClH$_{3}$ 2 8 mC16 AB3_mC16_9_a_3a-001 $Cc$ 9 HP, Theory
T96Y ClH$_{3}$ 2 8 mC16 AB3_mC16_15_e_af-001 $C2/c$ 15 HP, Theory
WTE4 Cl$_{3}$H 2 16 oP16 AB3_oP16_19_a_3a-001 $P2_12_12_1$ 19 HP, Theory
5MRT Cl$_{3}$H$_{4}$HgN$_{4}$ 3 5 tP5 $E2_{5}$ A3BC_tP5_123_ah_c_b-001 $P4/mmm$ 123 $E2_{5}$
40W9 Cl$_{3}$H$_{12}$KMgO$_{6}$ 5 276 oP276 A3B12CDE6_oP276_52_d4e_18e_ce_de_2d8e-001 $Pnna$ 52 Carnallite
AZ89 Cl$_{4}$H$_{2}$K$_{2}$OSn 5 40 oP40 A4B2C2DE_oP40_62_2cd_2c_d_c_c-001 $Pnma$ 62
TXNW ClH$_{6}$LiO$_{7}$ 4 30 hP30 $H4_{18}$ AB6CD7_hP30_186_b_d_a_b2c-001 $P6_3mc$ 186 $H4_{18}$
5BTF Cl$_{2}$H$_{6}$MgN$_{2}$ 4 13 oC26 $E1_{3}$ A2B8CD2_oC26_65_h_r_a_i-001 $Cmmm$ 65 $E1_{3}$
3SX5 Cl$_{2}$H$_{12}$MgO$_{6}$ 4 21 mC42 $J1_{7}$ A2B12CD6_mC42_12_i_2i2j_a_ij-001 $C2/m$ 12 $J1_{7}$, Bischofite
RYUC ClH$_{4}$NO$_{2}$ 4 16 tP16 AB4CD2_tP16_113_c_f_a_e-001 $P\overline{4}2_1m$ 113 Ammonium Chlorite
3AAY Cl$_{3}$H$_{15}$N$_{5}$Rh 4 96 oP96 $J1_{8}$ A3B15C5D_oP96_62_cd_3c6d_3cd_c-001 $Pnma$ 62 $J1_{8}$
5HSN ClH$_{12}$N$_{5}$Zn 4 40 oP40 AB12C5D2_oP40_18_a_6c_b2c_c-001 $P2_12_12$ 18
FX47 Cl$_{2}$H$_{12}$O$_{6}$Sr 4 21 hP21 A2B12C6D_hP21_150_d_2g_ef_a-001 $P321$ 150
07TT Cl$_{4}$(H$_{2}$O)HgK$_{2}$ 4 32 oP32 $E3_{4}$ A4BCD2_oP32_55_ghi_e_f_gh-001 $Pbam$ 55 $E3_{4}$
YLSG Cl$_{4}$(H$_{2}$O)IK 4 28 mP28 $H0_{10}$ A4BCD_mP28_14_4e_e_e_e-001 $P2_1/c$ 14 $H0_{10}$
EVKH Cl$_{4}$(H$_{2}$O)K$_{2}$Sn 4 32 oP32 $E3_{5}$ A4BC2D_oP32_62_2cd_a_2c_b-001 $Pnma$ 62 $E3_{5}$
ZADN Cl$_{4}$(H$_{2}$O)K$_{2}$Sn 4 32 oP32 A4BC2D_oP32_62_2cd_c_d_c-001 $Pnma$ 62
8AAX Cl$_{6}$(H$_{2}$O)$_{2}$K$_{3}$Tl 4 84 tI168 $J3_{1}$ A6B2C3D_tI168_139_egikl2m_ejn_bh2n_acf-001 $I4/mmm$ 139 $J3_{1}$
Y171 Cl$_{2}$(H$_{2}$O)(NH$_{3}$)$_{4}$Pd 4 16 tP16 $H4_{9}$ A2BC4D_tP16_127_g_c_j_b-001 $P4/mbm$ 127 $H4_{9}$
5954 Cl$_{6}$(H$_{2}$O)$_{6}$NiSn 4 14 hR14 $I6_{1}$ A6B6CD_hR14_148_f_f_a_b-001 $R\overline{3}$ 148 $I6_{1}$
WZ1P Cl$_{2}$(H$_{2}$O)$_{6}$Sr 3 9 hP9 $I1_{3}$ A2B6C_hP9_162_c_k_b-001 $P\overline{3}1m$ 162 $I1_{3}$ (Obsolete)
T1KN ClHg 2 4 tI8 $D3_{1}$ AB_tI8_139_e_e-001 $I4/mmm$ 139 $D3_{1}$, Calomel
DNGY Cl$_{2}$Hg 2 12 oP12 $C25$ A2B_oP12_62_2c_c-002 $Pnma$ 62 $C25$
4UG2 ClHg$_{3}$IS$_{2}$ 4 28 mC56 AB3CD2_mC56_12_2i_eg2ij_2i_2j-001 $C2/m$ 12 Radtkeite
AR8A Cl$_{2}$Hg$_{3}$O$_{2}$ 3 14 mP14 A2B3C2_mP14_14_e_ae_e-001 $P2_1/c$ 14
LQ5X Cl$_{2}$Hg$_{3}$S$_{2}$ 3 16 oP16 AB2C_oP16_51_2e_bfi_j-001 $Pmma$ 51 Kenhsuite
UWQ4 Cl$_{2}$Hg$_{3}$S$_{2}$ 3 224 cP224 A2B3C2_cP224_223_abcdefk_j3k_il-001 $Pm\overline{3}n$ 223 β-Hg$_{3}$S$_{2}$Cl$_{2}$
VYHG Cl$_{2}$Hg$_{3}$S$_{2}$ 3 14 cI28 A2B3C2_cI28_199_a_b_a-002 $I2_13$ 199 Corderoite
HU5N ClI 2 16 mP16 AB_mP16_14_2e_2e-001 $P2_1/c$ 14 α-ICl
PKFR Cl$_{3}$KNi 3 30 hP30 A3BC_hP30_185_cd_c_ab-001 $P6_3cm$ 185
RT35 ClKO$_{3}$ 3 10 mP10 $G0_{6}$ ABC3_mP10_11_e_e_ef-001 $P2_1/m$ 11 $G0_{6}$
Q1UZ ClKO$_{4}$ 3 6 cF24 $H0_{5}$ ABC4_cF24_216_a_b_e-001 $F\overline{4}3m$ 216 $H0_{5}$, HT
1KN8 Cl$_{4}$K$_{2}$O$_{2}$Os 4 9 tI18 $J1_{5}$ A4B2C2D_tI18_139_h_d_e_a-001 $I4/mmm$ 139 $J1_{5}$
3SRH Cl$_{4}$K$_{2}$Pt 3 7 tP7 $H1_{5}$ A4B2C_tP7_123_j_e_a-001 $P4/mmm$ 123 $H1_{5}$
L6LF Cl$_{6}$K$_{2}$Pt 3 9 cF36 $J1_{1}$ A6B2C_cF36_225_e_c_a-001 $Fm\overline{3}m$ 225 $J1_{1}$
AD9M Cl$_{6}$K$_{2}$Sn 3 18 tP18 A6B2C_tP18_128_eh_d_a-001 $P4/mnc$ 128 Phase II
C2DK Cl$_{6}$K$_{2}$Sn 3 18 mP18 A6B2C_mP18_14_3e_e_a-001 $P2_1/c$ 14 Phase I
XV4Y Cl$_{9}$K$_{3}$W$_{2}$ 3 28 hP28 $K7_{1}$ A9B3C2_hP28_176_hi_af_f-001 $P6_3/m$ 176 $K7_{1}$
799E Cl$_{8}$Mn$_{3}$Na$_{2}$ 3 13 hR13 A8B3C2_hR13_166_ch_e_c-001 $R\overline{3}m$ 166
XWSU Cl$_{2}$N$_{2}$H$_{6}$Zn 4 22 oI44 $E1_{2}$ A2B6C2D_oI44_74_i_hj_h_e-001 $Imma$ 74 $E1_{2}$
QLZ6 Cl$_{2}$NP 3 32 tP32 $E1_{4}$ A2BC_tP32_86_2g_g_g-001 $P4_2/n$ 86 $E1_{4}$
YZB2 Cl(NH$_{4}$)O$_{2}$ 3 8 tP8 $F5_{4}$ ABC2_tP8_100_b_a_c-001 $P4bm$ 100 $F5_{4}$, (Obsolete)
L333 Cl$_{8}$Na$_{2}$Ti$_{3}$ 3 13 hR13 A8B2C3_hR13_160_2a2b_2a_b-001 $R3m$ 160 γ-Na$_{2}$Ti$_{3}$Cl$_{8}$
XAT4 Cl$_{8}$OPSb 4 44 oP44 A8BCD_oP44_62_4c2d_c_c_c-001 $Pnma$ 62
Q18C Cl$_{7}$OPTi 4 80 oP80 A7BCD_oP80_61_7c_c_c_c-001 $Pbca$ 61
S4ZE Cl$_{2}$O$_{5}$Pb$_{3}$W 4 22 oC44 A2B5C3D_oC44_63_ac_ch_cf_c-001 $Cmcm$ 63 pinalite
YL8Z Cl$_{2}$O$_{5}$Sb$_{4}$ 3 22 mP22 A2B5C4_mP22_14_e_a2e_2e-001 $P2_1/c$ 14
5ZH7 Cl$_{9}$PV 3 22 oC44 A9BC_oC44_39_3c3d_a_c-001 $Aem2$ 39
GSD1 Cl$_{2}$Pb 2 12 oP12 $C23$ A2B_oP12_62_2c_c-003 $Pnma$ 62 $C23$, Cotunnite
8GMP Cl$_{2}$Pd 2 18 hR18 A2B_hR18_148_2f_f-001 $R\overline{3}$ 148 β-PdCl$_{2}$
HU31 Cl$_{2}$Pd 2 6 oP6 $C50$ A2B_oP6_58_g_a-001 $Pnnm$ 58 $C50$
K9AG Cl$_{2}$Pd 2 6 mP6 A2B_mP6_14_e_a-001 $P2_1/c$ 14 γ-PdCl$_{2}$
ZWXH Cl$_{2}$Pd 2 6 mP6 A2B_mP6_10_mn_bc-001 $P2/m$ 10 δ-Pd$_{2}$Cl
5RVU Cl$_{3}$Ru 2 8 hP8 A3B_hP8_185_c_a-001 $P6_3cm$ 185 β-RuCl$_{3}$
KC70 Cl$_{3}$Ru 2 8 hP8 A3B_hP8_158_d_a-001 $P3c1$ 158 β-RuCl$_{3}$
ZRK3 Cl$_{8}$Si$_{3}$ 2 44 cF176 A8B3_cF176_219_eh_abe-001 $F\overline{4}3c$ 219
5VT7 Cl$_{4}$Th 2 10 tI20 A4B_tI20_88_f_a-001 $I4_1/a$ 88 α-ThCl$_{4}$
NG21 Cl$_{4}$Th 2 10 tI20 A4B_tI20_141_h_a-001 $I4_1/amd$ 141 β-ThCl$_{4}$
CZNF Cl$_{3}$U 2 8 hP8 A3B_hP8_176_h_c-001 $P6_3/m$ 176
VGKE Co$_{7}$Er$_{2}$ 2 18 hR18 A7B2_hR18_166_a2cdh_2c-001 $R\overline{3}m$ 166
SBCX CoGa$_{5}$Ho 3 7 tP7 AB5C_tP7_123_b_ci_a-001 $P4/mmm$ 123
G7WP CoGa$_{8}$Ho$_{2}$ 3 11 tP11 AB8C2_tP11_123_a_ehi_g-003 $P4/mmm$ 123
0GA4 CoGa$_{3}$Lu$_{2}$ 3 24 hP24 AB3C2_hP24_194_f_k_bh-001 $P6_3/mmc$ 194
1YQJ Co$_{3}$Ga$_{9}$Y$_{2}$ 3 28 oC56 A3B9C2_oC56_63_ae_cfgh_g-001 $Cmcm$ 63
7BKU CoGe 2 8 mC16 AB_mC16_12_aci_2i-001 $C2/m$ 12
QB3A CoGe$_{2}$ 2 12 oC24 AB2_oC24_64_d_ef-002 $Cmce$ 64
Y7TL Co$_{5}$Ge$_{7}$ 2 12 tI24 A5B7_tI24_107_ac_abd-001 $I4mm$ 107
6YLQ CoGeO$_{3}$ 3 20 mC40 ABC3_mC40_15_2e_f_3f-001 $C2/c$ 15
422U Co$_{2}$Ge$_{4}$Pr$_{5}$ 3 20 mC40 A2B3C5_mC40_12_2i_3i_5i-001 $C2/m$ 12
0ZM1 Co$_{3}$H$_{2}$O$_{10}$Se$_{3}$ 4 36 aP36 A3B2C10D3_aP36_2_be2i_2i_10i_3i-001 $P\overline{1}$ 2
G8R0 CoK$_{3}$N$_{6}$O$_{12}$ 4 22 cF88 $J2_{4}$ AB3C6D12_cF88_202_a_bc_e_h-001 $Fm\overline{3}$ 202 $J2_{4}$
C4AH Co$_{2}$LiNaO$_{4}$ 4 18 hP18 A2BC2D4_hP18_194_f_a_cd_ef-001 $P6_3/mmc$ 194
3DYH CoLiO$_{2}$ 3 16 hP16 ABC2_hP16_186_ab_ab_a3b-001 $P6_3mc$ 186 O4-LiCoO$_{2}$
5BYD CoLiO$_{2}$ 3 8 hP8 ABC2_hP8_186_b_b_ab-001 $P6_3mc$ 186 O2-LiCoO$_{2}$
ZQRP CoLi$_{6}$O$_{4}$ 3 22 tP22 AB6C4_tP22_137_a_df_g-001 $P4_2/nmc$ 137
NFL9 Co$_{6}$LiP$_{4}$ 3 11 hP11 A6BC4_hP11_187_jk_a_ck-001 $P\overline{6}m2$ 187
1Q2N Co$_{3}$Lu$_{2}$Si$_{5}$ 3 20 mC40 A3B2C5_mC40_15_ef_f_3ef-001 $C2/c$ 15
KXT1 Co$_{8}$Mn$_{3}$Zn$_{9}$ 2 20 cP20 A2B3_cP20_213_c_d-001 $P4_132$ 213
6X9E CoNa$_{0.74}$O$_{2}$ 3 10 hP10 AB2C2_hP10_194_a_bc_f-001 $P6_3/mmc$ 194
1XST Co$_{2}$Na$_{2}$O$_{6}$Te 4 44 hP44 A2B13C6D_hP44_182_bc_a2i_i_d-001 $P6_322$ 182
KL15 Co$_{15.5}$Na$_{5}$O$_{36}$Te$_{6}$ 4 66 hP66 A7B5C18D3_hP66_176_ci_bef_2h2i_h-001 $P6_3/m$ 176 NCTO
A0VJ CoNb$_{3}$S$_{6}$ 3 20 hP20 AB3C6_hP20_182_c_af_i-001 $P6_322$ 182
LAN3 CoNb$_{4}$Si 3 12 tP12 AB4C_tP12_124_a_m_c-001 $P4/mcc$ 124
SV6X Co$_{3}$O$_{4}$ 2 14 cF56 $D7_{2}$ A3B4_cF56_227_ad_e-001 $Fd\overline{3}m$ 227 $D7_{2}$, Spinel
TBT2 Co$_{3}$O$_{14}$P$_{2}$Pb$_{3}$Te 5 138 mP138 A3B14C2D3E_mP138_3_3c3d6e_42e_6e_3a3b6e_3a3b-001 $P2$ 3
X1EM Co$_{9}$S$_{8}$ 2 17 cF68 $D8_{9}$ A9B8_cF68_225_af_ce-001 $Fm\overline{3}m$ 225 $D8_{9}$
D85X Co$_{2}$S$_{2}$Tl 3 5 tI10 A2B2C_tI10_139_d_e_a-002 $I4/mmm$ 139
6EYJ Co$_{2}$Si 2 12 oP12 $C37$ A2B_oP12_62_2c_c-001 $Pnma$ 62 $C37$
LD1K Co$_{3}$Si$_{5}$U$_{2}$ 3 20 oI40 A3B5C2_oI40_72_aj_bfj_j-001 $Ibam$ 72
Z7YH CoSn 2 6 hP6 $B35$ AB_hP6_191_f_ad-001 $P6/mmm$ 191 $B35$
TFMD CoU 2 8 cI16 $B_{a}$ AB_cI16_199_a_a-001 $I2_13$ 199 $B_{a}$
XEL5 Co$_{3}$V 2 24 hP24 A3B_hP24_194_hk_bf-001 $P6_3/mmc$ 194
6H3E CoZn$_{13}$ 2 14 mC28 AB13_mC28_12_a_c2i2j-001 $C2/m$ 12
YFN8 CrCl$_{3}$(H$_{2}$O)$_{6}$ 3 20 hR20 $J2_{2}$ A3BC6_hR20_167_e_b_f-001 $R\overline{3}c$ 167 $J2_{2}$
6BNK CrCsF$_{4}$ 3 18 hP18 ABC4_hP18_189_f_g_fgj-001 $P\overline{6}2m$ 189
763J Cr$_{2}$CuO$_{4}$ 3 14 tI28 A2BC4_tI28_141_c_b_h-001 $I4_1/amd$ 141
BC9T CrCuS$_{2}$ 3 4 hR4 ABC2_hR4_160_a_a_2a-003 $R3m$ 160
729N CrFe$_{11}$MoNi$_{3}$ 4 16 cP16 AB11CD3_cP16_221_a_dg_b_c-001 $Pm\overline{3}m$ 221 Model Structure
VR5Q CrFe$_{18}$MoNi$_{8}$ 3 27 cF108 AB18C8_cF108_225_a_eh_f-001 $Fm\overline{3}m$ 225 Model Structure
3F7M CrFe$_{27}$MoNi$_{3}$ 4 32 cP32 AB27CD3_cP32_221_a_dij_b_c-001 $Pm\overline{3}m$ 221 Model Structure
YRPB CrFe$_{4}$Ni$_{3}$ 3 8 cI16 AB4C3_cI16_229_a_c_b-001 $Im\overline{3}m$ 229 Model Structure
L6PB CrFe$_{12}$Ni$_{3}$ 3 16 cI32 AB12C3_cI32_229_a_h_b-001 $Im\overline{3}m$ 229 Model Structure
FENM Cr$_{9}$Fe$_{16}$Ni$_{7}$ 3 32 cF128 A9B16C7_cF128_225_acd_2f_be-001 $Fm\overline{3}m$ 225 Model Structure
6EHC Cr$_{4}$Fe$_{4}$Ni$_{4}$PdRh$_{2}$ 5 30 tP30 $D8_{b}$ A4B4C4DE2_tP30_136_i_j_i_a_f-001 $P4_2/mnm$ 136 $D8_{b}$
C57U CrFe$_{3}$NiSn$_{5}$ 2 6 hP6 AB_hP6_183_c_ab-001 $P6mm$ 183
1XJV Cr$_{4}$GaLiO$_{8}$ 4 14 cF56 A4BCD8_cF56_216_e_a_c_2e-001 $F\overline{4}3m$ 216
9Q9K Cr$_{4}$Ga$_{17}$Pt 3 22 cF88 A4B17C_cF88_216_e_aefg_c-001 $F\overline{4}3m$ 216 Cubic Cr$_{4}$PtGa$_{17}$
LP35 CrHO$_{2}$ 3 4 hR4 ABC2_hR4_160_a_a_2a-002 $R3m$ 160 Grimaldiite, α-CrOOH
TZ68 CrHO$_{2}$ 3 8 oP8 ABC2_oP8_31_a_a_2a-001 $Pmn2_1$ 31 Guyanaite, β-CrOOH
AUGT Cr(H$_{2}$O)$_{12}$NaO$_{8}$S$_{2}$ 5 96 cP96 AB12CD8E2_cP96_205_a_2d_b_cd_c-001 $Pa\overline{3}$ 205 Alum
FR9M CrK$_{3}$O$_{8}$ 3 12 tI24 AB3C8_tI24_121_a_bd_2i-001 $I\overline{4}2m$ 121
A786 CrNa$_{2}$O$_{4}$ 3 14 oC28 $H1_{8}$ AB2C4_oC28_63_c_ac_fg-001 $Cmcm$ 63 $H1_{8}$
J6ND CrNaS$_{2}$ 3 4 hR4 $F5_{1}$ ABC2_hR4_166_a_b_c-001 $R\overline{3}m$ 166 $F5_{1}$, Caswellsilverite
8E60 CrO$_{3}$ 2 8 oC16 AB3_oC16_40_b_a2b-002 $Ama2$ 40 Orthorhombic CrO$_{3}$
KCMH CrO$_{3}$ 2 8 oC16 $D0_{7}$ AB3_oC16_20_a_bc-001 $C222_1$ 20 $D0_{7}$, (Obsolete)
NF0B Cr$_{5}$O$_{12}$ 2 68 oP68 A5B12_oP68_60_c2d_6d-001 $Pbcn$ 60
2S3X CrP$_{4}$ 2 10 mC20 AB4_mC20_15_e_2f-001 $C2/c$ 15
VB2Y CrPS$_{4}$ 3 12 mC24 ABC4_mC24_5_2a_c_4c-001 $C2$ 5
H6Z8 CrS 2 4 mC8 AB_mC8_15_a_e-003 $C2/c$ 15
CVKE Cr$_{2}$S$_{3}$ 2 10 hR10 A2B3_hR10_148_abc_f-001 $R\overline{3}$ 148 Rhombohedral
17US Cr$_{3}$S$_{4}$ 2 7 mC14 A3B4_mC14_12_ai_2i-002 $C2/m$ 12 Brezinaite
Z6CB Cr$_{5}$S$_{6}$ 2 22 hP22 A5B6_hP22_163_abcf_i-001 $P\overline{3}1c$ 163 Trigonal
H4M1 Cr$_{7}$Se$_{8}$ 2 15 mC30 A7B8_mC30_12_aehi_2ij-001 $C2/m$ 12
AFXE Cr$_{5}$Se$_{8}$Tl 3 14 mC28 A5B8C_mC28_12_a2i_4i_c-001 $C2/m$ 12
3K6M CrSi$_{2}$ 2 9 hP9 $C40$ AB2_hP9_180_c_i-001 $P6_222$ 180 $C40$
7MHE Cr$_{3}$Si 2 8 cP8 $A15$ A3B_cP8_223_c_a-001 $Pm\overline{3}n$ 223 $A15$
LS62 Cr$_{2}$Si$_{2}$Th 3 5 tI10 A2B2C_tI10_139_d_e_a-003 $I4/mmm$ 139
K69U CsF$_{4}$Fe 3 24 tP24 AB4C_tP24_129_bc_ij_d-001 $P4/nmm$ 129 CsFeF$_{4}$ II
B9LX Cs$_{4}$F$_{10}$Mg$_{3}$ 3 34 oC68 A4B10C3_oC68_64_2f_e2fg_af-001 $Cmce$ 64
R5TH CsFeS$_{2}$ 3 8 oI16 ABC2_oI16_71_e_g_fi-001 $Immm$ 71 Stable above 100K
4JP4 CsHgN$_{3}$O$_{6}$ 4 11 cP11 ABC3D6_cP11_200_a_b_c_f-001 $Pm\overline{3}$ 200
M8U7 CsMo$_{2}$O$_{8}$Pr 4 24 oP24 AB2C8D_oP24_49_e_q_2qr_f-001 $Pccm$ 49
2UZJ CsO 2 4 oI8 AB_oI8_71_e_g-001 $Immm$ 71
BZC9 Cs$_{7}$O 2 24 hP24 A7B_hP24_187_ah2j2kn_j-001 $P\overline{6}m2$ 187
2343 Cs$_{11}$O$_{3}$ 2 56 mP56 A11B3_mP56_14_11e_3e-001 $P2_1/c$ 14
XJYL CsO$_{3}$S 3 20 hP20 $K1_{2}$ AB3C_hP20_190_ac_i_f-001 $P\overline{6}2c$ 190 $K1_{2}$
WBDQ CsO$_{6}$W$_{2}$ 3 72 cP72 AB6C2_cP72_198_2a_4b_ab-001 $P2_13$ 198 LT (100K)
A3V8 Cs$_{6}$O$_{36}$W$_{11}$ 3 106 mC212 A6B36C11_mC212_9_6a_36a_11a-001 $Cc$ 9
DCAK Cs$_{3}$P$_{7}$ 2 40 tP40 A3B7_tP40_76_3a_7a-001 $P4_1$ 76
9L36 Cs$_{2}$Sb 2 24 oP24 A2B_oP24_62_4c_2c-001 $Pnma$ 62
DUC7 Cs$_{2}$Se 2 6 oF24 A2B_oF24_43_b_a-001 $Fdd2$ 43
6EYD Cu 1 1 cF4 $A1$ A_cF4_225_a-001 $Fm\overline{3}m$ 225 $A1$, fcc lattice
FH59 Cu$_{2}$F$_{8}$GdNa 4 12 tI24 A2B8CD_tI24_97_d_k_a_b-001 $I422$ 97
2016 CuF$_{6}$Zr 3 8 cF32 AB6C_cF32_225_a_e_b-001 $Fm\overline{3}m$ 225 α'-CuZrF$_{6}$
5H3G CuF$_{6}$Zr 3 14 aP14 AB12C_aP14_2_b_6i_c-001 $P\overline{1}$ 2 γ-CuZrF$_{6}$
7RW9 CuF$_{6}$Zr 3 8 hR8 AB6C_hR8_148_a_f_b-001 $R\overline{3}$ 148 β-CuZrF$_{6}$
G65V CuF$_{6}$Zr 3 14 cF56 AB12C_cF56_202_a_h_b-001 $Fm\overline{3}$ 202 α-CuZrF$_{6}$
Y6AL CuFeO$_{2}$ 3 8 hP8 ABC2_hP8_194_a_c_f-005 $P6_3/mmc$ 194 Hex. Delafossite
Y8C3 CuFeO$_{2}$ 3 4 hR4 ABC2_hR4_166_a_b_c-004 $R\overline{3}m$ 166 Rhomb. Delafossite
CG4B Cu$_{1-x}$Fe$_{x}$S$_{4}$ 3 8 hP8 ABC2_hP8_164_d_d_cd-001 $P\overline{3}m1$ 164 Nukundamite
88N3 CuFeS$_{2}$ 3 4 tP4 $F6_{1}$ ABC2_tP4_115_a_c_g-001 $P\overline{4}m2$ 115 $F6_{1}$ (Obsolete)
XWJF CuFeS$_{2}$ 3 8 tI16 $E1_{1}$ ABC2_tI16_122_a_b_d-001 $I\overline{4}2d$ 122 $E1_{1}$, Chalcopyrite
7QNH CuFe$_{2}$S$_{3}$ 3 24 oP24 $E9_{e}$ AB2C3_oP24_62_c_d_cd-001 $Pnma$ 62 $E9_{e}$, Cubanite
EMLR Cu$_{5}$FeS$_{4}$ 2 64 cF256 A7B_cF256_225_f2k_ce-001 $Fm\overline{3}m$ 225 Bornite, 443-508K
H7LS Cu$_{5}$FeS$_{4}$ 3 160 oP160 A5BC4_oP160_29_20a_4a_16a-001 $Pca2_1$ 29 LT Bornite
L8SE Cu$_{5}$FeS$_{4}$ 3 160 oP160 A5BC4_oP160_61_10c_2c_8c-001 $Pbca$ 61 RT Bornite
2KD6 Cu$_{9}$Fe$_{9}$S$_{16}$ 3 34 tP34 A9B9C16_tP34_111_ajn_bcdek_2no-001 $P\overline{4}2m$ 111 Mooihoekite
JRUG Cu$_{2}$FeS$_{4}$Sn 4 8 tI16 $H2_{6}$ A2BC4D_tI16_121_d_a_i_b-001 $I\overline{4}2m$ 121 $H2_{6}$, Stannite
7NS2 Cu$_{8}$Fe$_{2}$S$_{12}$Sn$_{2}$Zn 5 25 oI50 A8B2C12D2E_oI50_23_acgk_e_3k_f_b-001 $I222$ 23 Stannoidite
UBCB CuGd$_{2}$O$_{4}$ 3 14 oC28 AB2C4_oC28_64_a_d_ef-001 $Cmce$ 64
KT73 CuH$_{20}$N$_{2}$O$_{14}$S 5 78 mP78 $H4_{4}$ AB20C2D14E2_mP78_14_a_10e_e_7e_e-001 $P2_1/c$ 14 $H4_{4}$, Tutton Salt
NQQF CuH$_{10}$O$_{9}$S 4 42 aP42 $H4_{10}$ AB10C9D_aP42_2_bc_10i_9i_i-001 $P\overline{1}$ 2 $H4_{10}$, Chalcanthite
WLK8 Cu$_{3}$H$_{4}$O$_{10}$STe 5 64 oP64 A3B2C9DE_oP64_62_cd_2c_5c2d_c_c-001 $Pnma$ 62 Approximate H$_{2}$O Positions
4C7V Cu$_{6}$H$_{12}$O$_{24}$Si$_{6}$ 4 48 hR48 AB2C4D_hR48_148_f_2f_4f_f-001 $R\overline{3}$ 148 Dioptase
3Z42 CuHfSi$_{2}$ 3 8 tP8 ABC2_tP8_129_a_c_bc-002 $P4/nmm$ 129
4M8A CuHg$_{2}$Ti 3 4 cF16 AB2C_cF16_216_a_bc_d-001 $F\overline{4}3m$ 216 Inverse Heusler
BX6K CuHoP$_{2}$ 3 8 oC16 ABC2_oC16_67_a_g_bg-001 $Cmme$ 67
1M22 CuI 2 4 hP4 AB_hP4_156_ab_ab-001 $P3m1$ 156 β-CuI (Sakuma)
P31P CuI 2 6 hP6 A2B_hP6_187_gi_ad-001 $P\overline{6}m2$ 187 β-CuI (Bührer-Hälg)
TVVQ CuI 2 6 hP6 A2B_hP6_164_2d_d-001 $P\overline{3}m1$ 164 β-CuI (Keen-Hull)
ZMXD CuI 2 12 hP12 AB_hP12_156_3a2bc_3a2bc-001 $P3m1$ 156 β-CuI (Kurdyumova)
WLBF CuI$_{7}$Mo$_{3}$ 3 88 oP88 AB7C3_oP88_61_c_7c_3c-001 $Pbca$ 61
G59D CuInP$_{2}$S$_{6}$ 4 22 mC44 A2BC2D6_mC44_9_2a_a_2a_6a-001 $Cc$ 9
3902 CuKS$_{3}$Zr 4 12 oC24 ABC3D_oC24_63_c_c_cf_a-001 $Cmcm$ 63
LB5P CuLa$_{2}$O$_{4}$ 3 7 oF28 AB2C4_oF28_69_a_g_cg-001 $Fmmm$ 69 FCO La$_{2}$CuO$_{4}$
T7TZ CuLa$_{2}$O$_{4}$ 3 14 mC28 AB2C4_mC28_8_2a_4a_4a2b-001 $Cm$ 8 BCM La$_{2}$CuO$_{4}$
Y6BX CuLa$_{2}$O$_{4}$ 3 14 oC28 AB2C4_oC28_64_a_f_ef-003 $Cmce$ 64 BCO La$_{2}$CuO$_{4}$
H1TU CuLa$_{3}$S$_{7}$Si 4 24 hP24 AB3C7D_hP24_173_a_c_b2c_b-001 $P6_3$ 173
50N0 CuLiO$_{4}$V 4 14 oI28 ABC4D_oI28_74_a_c_hi_e-001 $Imma$ 74
S336 CuMg$_{2}$ 2 12 oF48 $C_{b}$ AB2_oF48_70_e_ef-002 $Fddd$ 70 $C_{b}$
8YL7 Cu$_{2}$Mg 2 6 cF24 $C15$ A2B_cF24_227_c_b-001 $Fd\overline{3}m$ 227 $C15$, Cubic Laves
NHP2 Cu$_{16}$Mg$_{6}$Si$_{7}$ 3 29 cF116 A16B6C7_cF116_225_2f_e_ad-001 $Fm\overline{3}m$ 225 Ternary $D8_{a}$
BN2H CuMnP 3 12 oP12 ABC_oP12_62_c_c_c-003 $Pnma$ 62
A42Z Cu$_{2}$Mo$_{3}$O$_{12}$Rb$_{2}$ 4 76 mC152 A2B3C12D2_mC152_15_2f_3f_12f_aef-001 $C2/c$ 15
L0WX CuN$_{3}$ 2 16 tI32 AB3_tI32_88_c_df-001 $I4_1/a$ 88 Copper (I) Azide
VP85 CuN$_{6}$ 2 28 oP28 AB6_oP28_62_c_6c-001 $Pnma$ 62
8Z5C CuNa$_{2}$O$_{7}$P$_{2}$ 4 48 mP48 AB2C7D2_mP48_14_e_2e_7e_2e-001 $P2_1/c$ 14 α-Na$_{2}$CuP$_{2}$O$_{7}$
9DDX CuNa$_{2}$O$_{7}$P$_{2}$ 4 24 mC48 AB2C7D2_mC48_15_a_f_e3f_f-001 $C2/c$ 15 β-Na$_{2}$CuP$_{2}$O$_{7}$
1V8W CuNd$_{2}$O$_{4}$ 3 7 tI14 AB2C4_tI14_139_a_e_cd-003 $I4/mmm$ 139 (T') Nd$_{2}$CuO$_{4}$
PUFU CuNiSb$_{2}$ 3 4 hP4 ABC2_hP4_164_a_b_d-001 $P\overline{3}m1$ 164 Zlatogorite
HRJX CuO 2 4 mC8 $B26$ AB_mC8_15_a_e-001 $C2/c$ 15 $B26$, Tenorite
WUJH Cu$_{2}$O 2 6 cP6 $C3$ A2B_cP6_224_b_a-001 $Pn\overline{3}m$ 224 $C3$, Cuprite
P57T Cu$_{4}$O$_{3}$ 2 14 tI28 A4B3_tI28_141_cd_ae-002 $I4_1/amd$ 141 Paramelaconite
L1KQ Cu$_{3}$O$_{12}$(OH)$_{2}$P$_{4}$ 4 21 aP21 A3B12C2D4_aP21_2_ai_6i_i_2i-001 $P\overline{1}$ 2
QVKJ CuO$_{4}$S 3 24 oP24 AB4C_oP24_62_a_2cd_c-001 $Pnma$ 62 Chalcocyanite
H100 Cu$_{2}$O$_{5}$S 3 16 mC32 A2B5C_mC32_12_ei_3ij_i-001 $C2/m$ 12 Dolerophanite
D0DK Cu$_{2}$O$_{4}$Se 3 28 mP28 A2B4C_mP28_14_abe_4e_e-001 $P2_1/c$ 14 Mono. Cu$_{2}$OSeO$_{3}$
PZ2V Cu$_{2}$O$_{4}$Se 3 56 cP56 A2B4C_cP56_198_ab_2a2b_2a-001 $P2_13$ 198 Cubic Cu$_{2}$OSeO$_{3}$
WL5U CuO$_{2}$Sr 3 8 oC16 AB2C_oC16_63_c_2c_c-001 $Cmcm$ 63
1AJT CuO$_{6}$SrTe$_{2}$ 4 120 cP120 AB6CD2_cP120_213_d_3e_ac_e-001 $P4_132$ 213
LRGD CuO$_{4}$Te 3 24 mP24 AB4C_mP24_14_ac_4e_e-001 $P2_1/c$ 14
D9YZ Cu$_{2}$O$_{7}$V$_{2}$ 3 22 oF88 A2B7C2_oF88_43_b_a3b_b-001 $Fdd2$ 43 Blossite, α-Cu$_{2}$V$_{2}$O$_{7}$
L8U5 Cu$_{3}$P 2 24 hP24 A3B_hP24_185_ab2c_c-001 $P6_3cm$ 185
Z2X0 Cu$_{3}$P 2 24 hP24 $D0_{21}$ A3B_hP24_165_bdg_f-001 $P\overline{3}c1$ 165 $D0_{21}$
L3AR Cu$_{4}$Pd 2 20 tP20 A4B_tP20_84_afjk_j-001 $P4_2/m$ 84
0HDN CuPt 2 8 cF32 $L1_{3}(I)$ AB_cF32_227_c_d-001 $Fd\overline{3}m$ 227 $L1_{3}(I)$
3A9R CuPt 2 2 hR2 $L1_{1}$ AB_hR2_166_a_b-001 $R\overline{3}m$ 166 $L1_{1}$
3APN CuPt$_{3}$ 2 8 cF32 $L1_{a}$ AB7_cF32_225_a_bd-001 $Fm\overline{3}m$ 225 $L1_{a}$, Disputed
HFY3 CuPt$_{2}$S$_{4}$ 3 28 mP28 AB2C4_mP28_13_g_efg_4g-001 $P2/c$ 13
BD46 Cu$_{2}$Rb$_{2}$S$_{4}$Ti 4 18 tP18 A2B2C4D_tP18_132_e_i_o_b-001 $P4_2/mcm$ 132
QP0Q CuS 2 12 hP12 $B18$ AB_hP12_194_cf_de-001 $P6_3/mmc$ 194 $B18$, Covellite
H6D5 CuS$_{2}$Sb 3 16 oP16 $F5_{6}$ AB2C_oP16_62_c_2c_c-001 $Pnma$ 62 $F5_{6}$, Chalcostibite
92JU Cu$_{2}$S$_{4}$SnZn 4 8 tI16 A2B4CD_tI16_82_ac_g_b_d-001 $I\overline{4}$ 82 Kesterite
S2FJ CuS$_{3}$Ta 3 20 oP20 AB3C_oP20_62_c_3c_c-002 $Pnma$ 62
8BYU CuS$_{4}$Ti$_{2}$ 3 28 hR28 AB4C2_hR28_166_2c_2c2h_abh-001 $R\overline{3}m$ 166 Rhombohedral
WCVT Cu$_{3}$S$_{4}$V 3 8 cP8 $H2_{4}$ A3B4C_cP8_215_c_e_b-001 $P\overline{4}3m$ 215 $H2_{4}$, Sulvanite
YG4M Cu$_{2}$Sb 2 6 tP6 $C38$ A2B_tP6_129_ac_c-001 $P4/nmm$ 129 $C38$
4QXQ Cu$_{10}$Sb$_{3}$ 2 26 hP26 A10B3_hP26_176_c3h_h-001 $P6_3/m$ 176
NQAB CuSb$_{3}$Zr$_{2}$ 3 6 tP6 AB3C2_tP6_115_a_bg_g-001 $P\overline{4}m2$ 115
7K0D Cu$_{2}$Se 2 19 cF76 A18B_cF76_225_c2f_a-001 $Fm\overline{3}m$ 225 HT
F9TK Cu$_{2}$Se 2 72 mC144 A2B_mC144_15_12f_6f-001 $C2/c$ 15 LT
SFSU CuSe$_{3}$SrY 4 24 oP24 AB3CD_oP24_62_c_3c_c_c-001 $Pnma$ 62
MVX2 Cu$_{15}$Si$_{4}$ 2 38 cI76 $D8_{6}$ A15B4_cI76_220_ae_c-001 $I\overline{4}3d$ 220 $D8_{6}$
LPH7 Cu$_{6}$Sn$_{5}$ 2 22 mC44 A6B5_mC44_15_ae2f_e2f-001 $C2/c$ 15 η'-Cu$_{6}$Sn$_{5}$
YGNT Cu$_{10}$Sn$_{3}$ 2 26 hP26 A10B3_hP26_176_bcfi_h-001 $P6_3/m$ 176 ζ-Cu$_{10}$Sn$_{3}$
1MZW Cu$_{41}$Sn$_{11}$ 2 104 cF416 A41B11_cF416_216_7e2fg3h_egh-001 $F\overline{4}3m$ 216 δ-Cu$_{41}$Sn$_{11}$
9JE2 CuTe 2 4 oP4 AB_oP4_59_a_b-001 $Pmmn$ 59 Vulcanite
X9YK Cu$_{2}$Te 2 6 hP6 $C_{h}$ A2B_hP6_191_h_e-001 $P6/mmm$ 191 $C_{h}$
C9G2 CuTi 2 2 tP2 $L2_{a}$ AB_tP2_123_a_d-002 $P4/mmm$ 123 $L2_{a}$, δ-CuTi
EKF2 CuTi 2 4 tP4 $B11$ AB_tP4_129_c_c-001 $P4/nmm$ 129 $B11$, γ-CuTi
B4JD CuTi$_{3}$ 2 4 tP4 $L6_{0}$ AB3_tP4_123_a_ce-001 $P4/mmm$ 123 $L6_{0}$
CJHD Cu$_{3}$Ti 2 8 oP8 $D0_{a}$ A3B_oP8_59_ae_b-001 $Pmmn$ 59 $D0_{a}$, β-TiCu$_{3}$
T7XE Cu$_{3}$Ti$_{2}$ 2 10 tP10 A3B2_tP10_129_3c_2c-001 $P4/nmm$ 129
N44F Cu$_{4}$Ti$_{3}$ 2 7 tI14 A4B3_tI14_139_2e_ae-001 $I4/mmm$ 139
AYKC Cu$_{5}$Zn$_{8}$ 2 26 cI52 $D8_{2}$ A5B8_cI52_217_ce_cg-001 $I\overline{4}3m$ 217 $D8_{2}$, γ-Brass
Y3T5 Dy$_{6}$Fe$_{16}$O 3 23 cI46 A6B16C_cI46_229_e_ch_a-001 $Im\overline{3}m$ 229
WYVV Dy$_{5}$Pd$_{2}$ 2 36 cF144 A7B2_cF144_227_2ef_e-001 $Fd\overline{3}m$ 227
WKQU Er$_{2}$O$_{7}$Si$_{2}$ 3 22 mP22 A2B7C2_mP22_14_e_a3e_e-001 $P2_1/c$ 14
21TS Er$_{5}$Rh$_{6}$Sn$_{18}$ 3 116 tI232 A5B6C18_tI232_142_bg_dg_e2f3g-001 $I4_1/acd$ 142
1QZH Er$_{3}$Ru$_{2}$ 2 10 hP10 A3B2_hP10_176_h_bc-001 $P6_3/m$ 176
PL9Q EuIn$_{2}$P$_{2}$ 3 10 hP10 AB2C2_hP10_194_a_f_f-001 $P6_3/mmc$ 194
0R9R Eu$_{2}$Ir$_{2}$O$_{7}$ 3 22 cF88 $E8_{1}$ A2B2C7_cF88_227_c_d_af-001 $Fd\overline{3}m$ 227 $E8_{1}$, Pyrochlore Iridate
3CT8 EuIr$_{2}$P$_{2}$ 3 15 hP15 AB2C2_hP15_154_a_ab_c-001 $P3_221$ 154
GPY3 F$_{3}$Fe 2 8 hR8 $D0_{12}$ A3B_hR8_167_e_b-001 $R\overline{3}c$ 167 $D0_{12}$
CH2B F$_{14}$Fe$_{3}$Na$_{5}$ 3 44 tP44 A14B3C5_tP44_94_c3g_ad_bg-001 $P4_22_12$ 94
2HX1 F$_{6}$GeK$_{2}$ 3 9 hP9 $J1_{13}$ A6BC2_hP9_164_i_a_d-001 $P\overline{3}m1$ 164 $J1_{13}$
B7FR F$_{2}$HK 3 8 tI16 $F5_{2}$ A2BC_tI16_140_h_d_a-001 $I4/mcm$ 140 $F5_{2}$
5413 F$_{1-x}$H$_{x}$MnO$_{x}$ 3 10 oP10 A2BC2_oP10_34_c_a_c-001 $Pnn2$ 34
DCYY F$_{2}$H$_{5}$N 3 16 oP16 $F5_{8}$ A2BC_oP16_53_eh_ab_g-001 $Pmna$ 53 $F5_{8}$
TF3J F$_{7}$K$_{2}$Nb 3 40 mP40 $K6_{2}$ A7B2C_mP40_14_7e_2e_e-001 $P2_1/c$ 14 $K6_{2}$
SENW F$_{4}$K$_{2}$Ni 3 7 tI14 A4B2C_tI14_139_ce_e_a-001 $I4/mmm$ 139 Ruddlesden-Popper
6140 F$_{4}$K$_{2}$O$_{9}$Ta$_{4}$ 3 57 hP57 A2B13C4_hP57_168_d_c6d_2d-001 $P6$ 168
XBGM F$_{6}$KP 3 26 cF104 A24BC_cF104_209_j_a_b-001 $F432$ 209
XTDJ F$_{6}$K$_{2}$U 3 9 hP9 A6B2C_hP9_189_fg_c_b-001 $P\overline{6}2m$ 189 $\beta_{1}$-K$_{2}$UF$_{6}$
JJ07 F$_{3}$La 2 24 hP24 $D0_{6}$ A3B_hP24_193_ack_g-001 $P6_3/mcm$ 193 $D0_{6}$, Tysonite
JX34 FLaO 3 6 tP6 ABC_tP6_129_a_c_b-001 $P4/nmm$ 129
1ZGT F$_{6}$Li$_{2}$Mo 3 18 tP18 A6B2C_tP18_94_eg_c_a-001 $P4_22_12$ 94
0JVV FLiNb$_{6}$O$_{15}$ 4 46 oP46 ABC6D15_oP46_51_f_b_2e2i_cef4i2j-001 $Pmma$ 51
J7L1 F$_{2}$Mg$_{3}$O$_{4}$Si 4 40 oP40 $S0_{7}$ A2B3C4D_oP40_62_d_cd_2cd_c-001 $Pnma$ 62 $S0_{7}$, Norbergite
YKCX F$_{2}$Mn 2 12 tP12 A2B_tP12_111_2n_bce-001 $P\overline{4}2m$ 111
MYRE FNaNb$_{6}$O$_{15}$ 4 23 oC46 ABC6D15_oC46_38_b_b_2a2d_2ab4d2e-001 $Amm2$ 38
KLNT F$_{6}$NaSb 3 16 hP16 $J1_{12}$ A6BC_hP16_163_i_b_c-001 $P\overline{3}1c$ 163 $J1_{12}$
N7XD F$_{6}$NaSb 3 32 cP32 A6BC_cP32_205_d_a_b-001 $Pa\overline{3}$ 205
R3Z7 F$_{6}$Na$_{2}$Th 3 9 hP9 A6B2C_hP9_150_ef_d_a-001 $P321$ 150 β-Na$_{2}$ThF$_{6}$
YUGM FNb$_{3}$O$_{7}$ 2 11 oC22 A3B8_oC22_65_bg_ac2gh-001 $Cmmm$ 65
ZX49 F$_{16}$O$_{40}$Ti$_{12}$Y$_{6}$Zn$_{5}$ 5 79 cF316 A16B40C12D6E5_cF316_216_eh_e2g2h_h_f_ae-001 $F\overline{4}3m$ 216 Murataite
DGDK FOY 3 6 hR6 ABC_hR6_166_c_c_c-002 $R\overline{3}m$ 166
WBME F$_{4}$Si 2 5 cI10 $D1_{2}$ A4B_cI10_217_c_a-001 $I\overline{4}3m$ 217 $D1_{2}$
RZ21 F$_{2}$Sn 2 12 oP12 A2B_oP12_19_2a_a-002 $P2_12_12_1$ 19 β-SnF$_{2}$
YKEJ F$_{2}$Sn 2 24 mC48 A2B_mC48_15_4f_2f-001 $C2/c$ 15 α-SnF$_{2}$
E914 FTl 2 8 oP8 AB_oP8_57_d_d-001 $Pbcm$ 57 Low-Temperature
XT4M FTl 2 2 oF8 $B24$ AB_oF8_69_a_b-001 $Fmmm$ 69 $B24$, (Obsolete)
FF5Q Fe$_{2}$C 2 6 oP6 AB2_oP6_58_a_g-002 $Pnnm$ 58 η-Fe$_{2}$C
JRHU Fe$_{3}$C 2 8 hP8 AB3_hP8_182_c_g-001 $P6_322$ 182 Bainite
4E59 Fe$_{6}$Ge$_{6}$Hf 3 13 hP13 A6B6C_hP13_191_i_cde_a-002 $P6/mmm$ 191
ANDB Fe$_{3}$GeTe$_{2}$ 3 12 hP12 A3BC2_hP12_194_ce_d_f-001 $P6_3/mmc$ 194
6V4S Fe$_{5}$GeTe$_{2}$ 3 8 hR8 A5BC2_hR8_160_5a_a_2a-001 $R3m$ 160
WBGV FeHO$_{2}$ 3 10 oC20 $E0_{4}$ AB2C2_oC20_63_c_f_2c-001 $Cmcm$ 63 $E0_{4}$, Lepidocrocite
G8C6 FeKS$_{2}$ 3 8 mC16 $F5_{a}$ ABC2_mC16_15_e_e_f-004 $C2/c$ 15 $F5_{a}$
88NB Fe$_{2}$KS$_{3}$ 3 12 oC24 A2BC3_oC24_63_e_c_cg-001 $Cmcm$ 63 Rasvumite
G0K3 FeLiO$_{2}$ 2 2 tI4 AB_tI4_139_a_b-003 $I4/mmm$ 139 β-LiFeO$_{2}$
VG40 FeLiO$_{2}$ 3 16 mC32 ABC2_mC32_15_2e_2e_2f-002 $C2/c$ 15 $\beta'$-LiFeO$_{2}$
WEQC FeLiO$_{2}$ 3 8 oP8 ABC2_oP8_59_a_a_2b-004 $Pmmn$ 59 o-LiFeO$_{2}$
XJE5 FeLiO$_{2}$ 3 8 tI16 ABC2_tI16_141_a_b_e-003 $I4_1/amd$ 141 γ-LiFeO$_{2}$
TK4X FeLi$_{2}$O$_{4}$Si 4 32 mP32 AB2C4D_mP32_4_2a_4a_8a_2a-001 $P2_1$ 4 Monoclinic (I)
U7VZ FeLi$_{2}$O$_{4}$Si 4 32 mP32 AB2C4D_mP32_14_e_2e_4e_e-001 $P2_1/c$ 14 Monoclinic (II)
013B FeLiO$_{8}$W$_{2}$ 4 24 mC48 ABC8D2_mC48_15_e_e_4f_f-001 $C2/c$ 15
P9BG Fe$_{2}$Mg$_{5}$O$_{22}$(OH)$_{2}$Si$_{8}$ 5 156 oP156 $S4_{4}$ A2B5C22D2E8_oP156_62_d_c2d_2c10d_2c_4d-001 $Pnma$ 62 $S4_{4}$, Anthophyllite
8ZWK Fe$_{2}$MnNaO$_{12}$P$_{3}$ 5 38 mC76 A2BCD12E3_mC76_15_f_e_a_6f_ef-001 $C2/c$ 15 Alluaudite
5GP6 Fe$_{2}$N 2 12 oP12 A2B_oP12_60_d_c-001 $Pbcn$ 60 ζ-Fe$_{2}$N
Q425 Fe$_{2}$N 2 4 hP4 $L'3_{0}$ AB_hP4_194_c_a-003 $P6_3/mmc$ 194 $L'3_{0}$
Q52R Fe$_{4}$N 2 5 cP5 $L'1_{0}$ A4B_cP5_221_bc_a-001 $Pm\overline{3}m$ 221 Erroneous $L'1_{0}$
TEA9 Fe$_{4}$N 2 5 cP5 $L'1_{0}$ A4B_cP5_221_ac_b-002 $Pm\overline{3}m$ 221 $L'1_{0}$, γ'-Fe$_{4}$N
6VR8 Fe$_{8}$N 2 9 tI18 $D2_{g}$ A8B_tI18_139_deh_a-001 $I4/mmm$ 139 $D2_{g}$
C14E FeNNi 3 3 tP3 ABC_tP3_123_c_a_b-001 $P4/mmm$ 123
4BR9 Fe$_{6}$(NH$_{4}$)$_{2}$Si 3 9 hP9 $J1_{6}$ A6B2C_hP9_164_i_d_a-001 $P\overline{3}m1$ 164 $J1_{6}$, Bararite
5FG5 FeNaO$_{2}$ 3 4 hR4 ABC2_hR4_166_a_b_c-009 $R\overline{3}m$ 166 α-NaFeO$_{2}$
2H6S FeNa$_{2}$O$_{5}$Sb 4 72 oP72 AB2C5D_oP72_60_d_2cd_5d_2c-001 $Pbcn$ 60
J362 FeNaS$_{2}$ 3 8 oI16 ABC2_oI16_23_ac_e_k-001 $I222$ 23
ZB5U FeNb$_{2}$O$_{6}$ 3 36 oP36 $E5_{1}$ AB2C6_oP36_60_c_d_3d-001 $Pbcn$ 60 $E5_{1}$, Columbite
X3MC FeNi 2 4 mP4 AB_mP4_6_2a_2b-001 $Pm$ 6 Tetrataenite
J7V3 Fe$_{2}$O$_{3}$ 2 60 cP60 $D5_{7}$ A2B3_cP60_212_acd_bce-001 $P4_332$ 212 $D5_{7}$, γ-Fe$_{2}$O$_{3}$
H9NP FeO$_{3}$(OH)$_{2}$Si 4 7 hR7 $S5_{7}$ AB3C2D_hR7_160_a_b_2a_a-001 $R3m$ 160 $S5_{7}$, Cronstedtite
JN4A Fe$_{3}$O$_{7}$P 3 11 hR11 A3B7C_hR11_160_b_a2b_a-001 $R3m$ 160
5L5V Fe$_{12}$O$_{19}$Pb 3 64 hP64 A12B19C_hP64_194_ab2fk_efh2k_c-001 $P6_3/mmc$ 194 Magnetoplumbite
GHH0 Fe$_{2}$O$_{12}$S$_{3}$ 3 34 hR34 A2B12C3_hR34_148_2c_4f_f-001 $R\overline{3}$ 148 Mikasaite
LK3Z Fe$_{2}$O$_{12}$S$_{3}$ 3 68 mP68 A2B12C3_mP68_14_2e_12e_3e-001 $P2_1/c$ 14 Monoclinic Phase
NJWX Fe$_{2}$O$_{5}$Ti 3 16 oC32 $E4_{1}$ A2B5C_oC32_63_f_c2f_c-001 $Cmcm$ 63 $E4_{1}$, Pseudobrookite
EVRK Fe$_{2}$O$_{4}$Yb 3 7 hR7 A2B4C_hR7_166_c_2c_a-001 $R\overline{3}m$ 166
6CGG Fe$_{2}$P 2 9 hP9 $C22$ A2B_hP9_150_ef_ad-001 $P321$ 150 $C22$ (Original)
6UK2 Fe$_{2}$P 2 9 hP9 $C22$ A2B_hP9_189_fg_ad-001 $P\overline{6}2m$ 189 Barringerite, $C22$ (Revised)
CFP9 FePSe$_{3}$ 3 10 hR10 ABC3_hR10_148_c_c_f-001 $R\overline{3}$ 148
EARG FePSe$_{3}$ 3 10 hR10 ABC3_hR10_146_2a_2a_2b-001 $R3$ 146
EE97 Fe$_{12}$P$_{7}$Zr$_{2}$ 3 21 hP21 A12B7C2_hP21_174_2j2k_ajk_cf-001 $P\overline{6}$ 174
6ZXP FeS 2 24 hP24 AB_hP24_190_i_afh-001 $P\overline{6}2c$ 190 Troilite
H691 FeS 2 2 oF8 AB_oF8_22_a_c-001 $F222$ 22 Below 242K
09UM FeS$_{2}$ 2 12 oP12 AB2_oP12_29_a_2a-001 $Pca2_1$ 29 LT Pyrite
M44S FeS$_{2}$ 2 12 cP12 $C2$ AB2_cP12_205_a_c-001 $Pa\overline{3}$ 205 $C2$, Pyrite
RHYA FeS$_{2}$ 2 12 aP12 AB2_aP12_1_4a_8a-001 $P1$ 1 Triclinic FeS$_{2}$
USY5 FeS$_{2}$ 2 6 oP6 $C18$ AB2_oP6_58_a_g-003 $Pnnm$ 58 $C18$, Marcasite
L5GZ Fe$_{7}$S$_{8}$ 2 30 mC60 A7B8_mC60_15_e3f_4f-001 $C2/c$ 15 Monoclinic Pyrrhotite
CAYJ FeS$_{4}$Sb$_{2}$ 3 28 oP28 $E3_{3}$ AB4C2_oP28_62_c_4c_2c-001 $Pnma$ 62 $E3_{3}$, Berthierite
DV64 Fe$_{2}$S$_{4}$Sr 4 16 tP16 AB2C4D_tP16_125_a_cd_m_b-001 $P4/nbm$ 125
J41Y FeS$_{2}$Tl 3 4 tI8 AB2C_tI8_119_c_e_a-001 $I\overline{4}m2$ 119 Tetragonal TlFeS$_{2}$
5KTQ FeSb$_{2}$ 2 6 oP6 AB2_oP6_34_a_c-001 $Pnn2$ 34
JFD1 FeSe 2 4 oC8 AB_oC8_67_a_g-001 $Cmme$ 67 α-FeSe
JGDH FeSe$_{2}$Tl 3 8 mC16 AB2C_mC16_12_g_2i_i-001 $C2/m$ 12 Monoclinic FeTlSe$_{2}$
93P7 FeSi 2 8 cP8 $B20$ AB_cP8_198_a_a-002 $P2_13$ 198 $B20$
MR28 FeSi$_2$ 2 24 oC48 AB2_oC48_64_df_2g-001 $Cmce$ 64 $T < 962$K
N538 FeSi$_2$ 2 3 tP3 AB2_tP3_123_a_h-001 $P4/mmm$ 123 962K $< T <$ 1000K
7FJR FeSiTi 3 18 oI36 ABC_oI36_46_ac_bc_3b-001 $Ima2$ 46
U6YK Fe$_{4}$Si$_{2}$Zr 3 14 tP14 A4B2C_tP14_136_i_f_a-001 $P4_2/mnm$ 136
KQQW Fe$_{3}$Sn$_{2}$ 2 10 hR10 A3B2_hR10_166_h_2c-001 $R\overline{3}m$ 166
BQR4 Fe$_{3}$Te$_{3}$Tl 3 14 hP14 A3B3C_hP14_176_h_h_c-001 $P6_3/m$ 176
VGVG Fe$_{3}$Th$_{7}$ 2 20 hP20 $D10_{2}$ A3B7_hP20_186_c_b2c-001 $P6_3mc$ 186 $D10_{2}$
4YUA FeTiO$_{3}$ 3 10 hR10 $E2_{2}$ AB3C_hR10_148_c_f_c-001 $R\overline{3}$ 148 $E2_{2}$, Ilmenite
MXB3 Fe$_{7}$W$_{6}$ 2 13 hR13 $D8_{5}$ A7B6_hR13_166_ah_3c-001 $R\overline{3}m$ 166 $D8_{5}$
TJ2T Fe$_{3}$Zn$_{10}$ 2 26 cI52 $D8_{1}$ A3B10_cI52_229_e_fh-001 $Im\overline{3}m$ 229 $D8_{1}$, γ-Brass
BRYB Ga 1 2 mC4 A_mC4_15_e-001 $C2/c$ 15 β-Ga (Obsolete)
JS9R Ga 1 4 oC8 $A11$ A_oC8_64_f-001 $Cmce$ 64 $A11$, α-Ga
ZZ7U GaGeLi 3 6 hP6 ABC_hP6_186_b_b_a-003 $P6_3mc$ 186
A5TG Ga$_{3}$Ge$_{6}$Ni$_{13}$ 3 66 hP66 A3B6C13_hP66_152_ac_3c_a2b5c-001 $P3_121$ 152
DBUS Ga$_{2}$Hf 2 12 tI24 A2B_tI24_141_2e_e-001 $I4_1/amd$ 141
DCPJ Ga$_{5}$Ir$_{3}$ 2 32 tP32 A5B3_tP32_118_f2i_aceh-001 $P\overline{4}n2$ 118
9S7L GaLiO$_{2}$ 3 16 oP16 ABC2_oP16_33_a_a_2a-003 $Pna2_1$ 33
AB10 Ga$_{2}$Mg$_{5}$ 2 14 oI28 $D8_{g}$ A2B5_oI28_72_j_afj-001 $Ibam$ 72 $D8_{g}$
LNLG Ga$_{2}$MnSb$_{2}$ 3 10 oI20 A2BC2_oI20_45_c_a_c-001 $Iba2$ 45
5V5H GaMo$_{4}$S$_{8}$ 3 13 hR13 AB4C8_hR13_160_a_ab_2a2b-001 $R3m$ 160 $T < 45$K
BEEG GaMo$_{4}$S$_{8}$ 3 13 cF52 AB4C8_cF52_216_a_e_2e-001 $F\overline{4}3m$ 216 RT
PBV9 Ga$_{4}$Ni 2 20 cI40 A4B_cI40_197_cde_c-001 $I23$ 197
K0Z6 Ga$_{4}$Ni$_{3}$ 2 56 cI112 A4B3_cI112_230_af_g-001 $Ia\overline{3}d$ 230
UYGN Ga$_{12}$NiSm$_{2}$ 3 30 tP30 A12BC2_tP30_125_2g2m_c_h-001 $P4/nbm$ 125
LKDZ Ga$_{2}$O$_{3}$ 2 10 mC20 A2B3_mC20_12_2i_3i-001 $C2/m$ 12 β-Ga$_{2}$O$_{3}$
VTDR Ga$_{2}$O$_{3}$ 2 30 cF120 A11B4_cF120_227_acdf_e-001 $Fd\overline{3}m$ 227 γ-Ga$_{2}$O$_{3}$
Q3WS Ga$_{9}$O$_{2}$S$_{13}$Tl$_{3}$ 4 27 hP27 A9B2C13D3_hP27_174_jl_i_ajkl_bcd-001 $P\overline{6}$ 174
VQV1 GaPS$_{4}$ 3 24 mP24 ABC4_mP24_14_e_e_4e-002 $P2_1/c$ 14
528Z Ga$_{5}$Pd 2 12 tI24 A5B_tI24_140_cl_a-001 $I4/mcm$ 140
2P2W Ga$_{3}$PdSr 3 10 oC20 A3BC_oC20_63_ce_c_c-001 $Cmcm$ 63
36DL Ga$_{3}$Pt$_{5}$ 2 8 oC16 A3B5_oC16_65_ah_bej-001 $Cmmm$ 65
PCUV Ga$_{6}$Pu 2 14 tP14 A6B_tP14_125_gm_c-001 $P4/nbm$ 125
6TQK Ga$_{3}$Rb 2 12 tI24 A3B_tI24_119_a2i_bf-001 $I\overline{4}m2$ 119
2DRY Ga$_{9}$Rh$_{2}$ 2 22 mP22 A9B2_mP22_7_9a_2a-001 $Pc$ 7
D8JE Ga$_{17}$Rh$_{10}$ 2 108 tP108 A17B10_tP108_116_e8j_ad2g2h5i-001 $P\overline{4}c2$ 116
K2V9 GaSb 2 2 tI4 AB_tI4_119_c_a-001 $I\overline{4}m2$ 119 $P > 60$kBar
BDG1 GaSe 2 8 hP8 AB_hP8_194_f_f-003 $P6_3/mmc$ 194 β-GaSe
M3JC GaSe 2 8 hP8 AB_hP8_187_gh_gh-001 $P\overline{6}m2$ 187 ε-GaSe
M3V5 GaSe 2 4 hR4 AB_hR4_160_2a_2a-001 $R3m$ 160 γ-GaSe
W6UW GaSe 2 16 hP16 AB_hP16_186_2a2b_2a2b-001 $P6_3mc$ 186 δ-GaSe
4F67 Ga$_{2}$Se$_{3}$ 2 10 mC20 A2B3_mC20_9_2a_3a-001 $Cc$ 9 RT
4RP0 Ga$_{2}$Te$_{5}$ 2 7 tI14 A2B5_tI14_87_d_ah-001 $I4/m$ 87
FCWX Ga$_{3}$Ti$_{2}$ 2 10 tP10 A3B2_tP10_83_adj_k-001 $P4/m$ 83
443S Ga$_{4}$Ti$_{5}$ 2 18 hP18 A4B5_hP18_193_bg_dg-001 $P6_3/mcm$ 193
V3JJ Ga$_{2}$Zr 2 6 oC12 A2B_oC12_65_acg_h-001 $Cmmm$ 65
4BHM GdIS 3 12 hP12 ABC_hP12_174_aj_dk_ej-001 $P\overline{6}$ 174
39CF Gd$_{4}$InRh 3 24 cF96 A4BC_cF96_216_efg_e_e-001 $F\overline{4}3m$ 216
HBLG Gd$_{2}$O$_{5}$Si 3 32 mP32 A2B5C_mP32_14_2e_5e_e-001 $P2_1/c$ 14 ``X1'' Structure
9ZSV Gd$_{2}$O$_{7}$Si$_{2}$ 3 44 oP44 A2B7C2_oP44_33_2a_7a_2a-001 $Pna2_1$ 33 Candidate δ-RE$_{2}$Si$_{2}$O$_{7}$
EQ3C GdSi$_{2}$ 2 6 oI12 AB2_oI12_74_e_2e-001 $Imma$ 74
L5S8 GdSn$_{3}$ 2 8 oC16 AB3_oC16_38_ab_3a3b-001 $Amm2$ 38 LT
HN10 Ge$_{10}$Ho$_{11}$ 2 42 tI84 A10B11_tI84_139_dehim_eh2n-001 $I4/mmm$ 139
0VM9 Ge$_{4}$Ir 2 15 hP15 A4B_hP15_144_4a_a-001 $P3_1$ 144
9SK5 Ge$_{7}$Ir$_{3}$ 2 20 cI40 $D8_{f}$ A7B3_cI40_229_df_e-001 $Im\overline{3}m$ 229 $D8_{f}$
RUTB GeK 2 64 cP64 AB_cP64_218_ei_ei-001 $P\overline{4}3n$ 218
3WXK Ge$_{2}$Li$_{7}$ 2 18 oC36 A2B7_oC36_65_gj_achipq-001 $Cmmm$ 65
05NC GeNa 2 32 mP32 AB_mP32_14_4e_4e-003 $P2_1/c$ 14
XPLN Ge$_{13}$Na$_{4}$ 2 58 hP58 A19B10_hP58_175_e2j2kl_djl-001 $P6/m$ 175
JMG5 Ge$_{9}$Na$_{4}$O$_{20}$ 3 66 tI132 A9B4C20_tI132_88_a2f_f_5f-001 $I4_1/a$ 88
UZBW GeNa$_{2}$O$_{6}$Te 4 20 hP20 AB2C6D_hP20_163_c_f_i_a-001 $P\overline{3}1c$ 163 β-Na$_{2}$GeTeO$_{6}$
RQLL Ge$_{2}$Os 2 6 mC12 A2B_mC12_12_2i_i-007 $C2/m$ 12
B4LQ GeP 2 2 tI4 AB_tI4_107_a_a-001 $I4mm$ 107 HP Superconductor
GDA9 Ge$_{3}$Pt$_{2}$ 2 20 oP20 A3B2_oP20_62_3c_2c-002 $Pnma$ 62
WXAV Ge$_{3}$Rh$_{5}$ 2 16 oP16 A3B5_oP16_55_ah_cgh-001 $Pbam$ 55
EU3H Ge$_{3}$Ru$_{2}$ 2 40 oP40 A3B2_oP40_60_3d_2cd-001 $Pbcn$ 60 Nowotny Chimney-Ladder
Y0CA GeS 2 8 oP8 $B16$ AB_oP8_62_c_c-001 $Pnma$ 62 $B16$
4KUZ GeS$_{2}$ 2 18 oF72 $C44$ AB2_oF72_43_ab_3b-001 $Fdd2$ 43 $C44$
5J2E GeSb$_{2}$Te$_{4}$ 3 7 hR7 AB2C4_hR7_166_a_c_2c-002 $R\overline{3}m$ 166
1L9R GeSe$_{2}$ 2 12 tP12 AB2_tP12_81_adg_2h-001 $P\overline{4}$ 81 HP
PJF4 Ge$_{5}$Sm$_{3}$ 2 16 hP16 A5B3_hP16_190_bch_g-001 $P\overline{6}2c$ 190 α-Sm$_{3}$Ge$_{5}$
8379 GeTe 2 2 hR2 AB_hR2_160_a_a-002 $R3m$ 160
MULK H 1 12 mC24 A_mC24_15_2e2f-001 $C2/c$ 15 H-III (HP, Theory)
3VYY H$_{3}$(H$_{2}$O)$_{29}$O$_{40}$PW$_{12}$ 4 164 cF656 $H4_{21}$ A29B40CD12_cF656_227_ae2fg_e3g_b_g-001 $Fd\overline{3}m$ 227 $H4_{21}$, ``PWA-29''
MK58 H$_{10}$Hf 2 22 hP22 A10B_hP22_194_bhj_c-001 $P6_3/mmc$ 194 Computational, 300 GPa
V86P H$_{3}$Ho 2 24 hP24 A3B_hP24_165_adg_f-001 $P\overline{3}c1$ 165
KYS8 H$_{8}$K$_{2}$MnO$_{12}$S$_{2}$ 5 56 mC112 $H4_{23}$ A8B2CD15E2_mC112_12_2i3j_j_ac_g4i5j_2i-001 $C2/m$ 12 $H4_{23}$, Mn-leonite (RT)
V1SG H$_{8}$K$_{2}$MnO$_{12}$S$_{2}$ 5 100 mP100 A8B2CD12E2_mP100_14_8e_2e_ab_12e_2e-001 $P2_1/c$ 14 Mn-leonite (LT)
5SVW H$_{8}$K4$_{2}$MnO$_{12}$S$_{2}$ 5 100 mC200 A8B2CD12E2_mC200_15_8f_2f_ae_2e11f_2f-001 $C2/c$ 15 Mn-leonite (185K)
DS2R H$_{2}$KO$_{4}$P 4 16 oF64 A2BC4D_oF64_43_b_a_2b_a-001 $Fdd2$ 43 Archerite
MD4G H$_{5}$K$_{2}$O$_{8}$P$_{2}$ 4 68 mP68 A5B2C8D2_mP68_4_10a_4a_16a_4a-001 $P2_1$ 4 Monoclinic
FKGA H$_{6}$K$_{2}$O$_{6}$Sn 4 15 hR15 $H6_{2}$ A6B2C6D_hR15_148_f_c_f_a-001 $R\overline{3}$ 148 $H6_{2}$
HA1H HKS 2 2 hR2 $B22$ AB_hR2_166_a_b-003 $R\overline{3}m$ 166 $B22$
8F2Q H$_{10}$La 2 11 cF44 A10B_cF44_225_cf_a-001 $Fm\overline{3}m$ 225
LLDQ H$_{16}$Li$_{2}$Mg 3 19 hP19 A16B2C_hP19_164_2d2i_d_a-001 $P\overline{3}m1$ 164 Predicted, 300 GPa
WZBC H$_{16}$Li$_{2}$Mg 3 38 cF152 A16B2C_cF152_227_eg_c_b-001 $Fd\overline{3}m$ 227 Predicted, 250 GPa
T76D H$_{3}$LiO$_{2}$ 3 12 mC24 $B36$ A3BC2_mC24_12_ij_g_hi-001 $C2/m$ 12 $B36$
SJPR H$_{2}$LiO$_{5}$PZn 5 40 oP40 A2BC5DE_oP40_33_2a_a_5a_a_a-001 $Pna2_1$ 33
674K H$_{2}$Li$_{2}$O$_{5}$S 4 20 mP20 $H4_{8}$ A2B2C5D_mP20_4_2a_2a_5a_a-001 $P2_1$ 4 $H4_{8}$
12DH HMgN 3 36 hP36 ABC_hP36_175_jk_jk_jk-001 $P6/m$ 175
N2MR H$_{2}$MgO$_{2}$ 3 5 hP5 A2BC2_hP5_164_d_a_d-001 $P\overline{3}m1$ 164 Brucite
APMF H$_{2}$Mg$_{7}$O$_{24}$Si$_{8}$ 4 82 oP82 A2B7C24D8_oP82_58_g_ae2f_2g5h_2h-001 $Pnnm$ 58 Protoanthophyllite
QTNQ H$_{3}$N 2 16 cP16 $D0_{1}$ A3B_cP16_198_b_a-001 $P2_13$ 198 $D0_{1}$, Ammonia
6GLF H$_{12}$N$_{2}$NiO$_{12}$ 4 54 aP54 A12B2CD12_aP54_2_12i_2i_i_12i-001 $P\overline{1}$ 2
JS41 H$_{4}$N$_{2}$O$_{3}$ 3 72 tP72 A4B2C3_tP72_77_8d_ab2c2d_6d-001 $P4_2$ 77 Gwihabaite, NH$_{4}$NO$_{3}$ V
NABB H$_{4}$N$_{2}$O$_{3}$ 3 18 oP18 $G0_{11}$ A4B2C3_oP18_59_ef_ab_ae-001 $Pmmn$ 59 $G0_{11}$, NH$_{4}$NO$_{3}$ IV
P6ME H$_{6}$NO$_{4}$P 4 48 oP48 A6BC4D_oP48_19_6a_a_4a_a-001 $P2_12_12_1$ 19 Ferroelectric phase
PGWH H$_{6}$NO$_{4}$P 4 28 tI56 A8BC4D_tI56_122_2e_b_e_a-001 $I\overline{4}2d$ 122 Paraelectric phase
ZLA7 H$_{2}$(NH$_{4}$)O$_{2}$P 4 12 oC24 $F5_{7}$ A2BC2D_oC24_67_m_a_n_g-001 $Cmme$ 67 $F5_{7}$
9JHP H$_{4}$Na$_{2}$O$_{13}$Si$_{4}$Ti 5 48 tP48 A4B2C13D4E_tP48_90_g_d_cef2g_g_c-001 $P42_12$ 90
6TN8 H$_{2}$Na$_{2}$O$_{9}$Si$_{2}$Zr 5 36 hP36 $S3_{4}$(II) A3B2C9D3E_hP36_194_g_f_hk_h_a-001 $P6_3/mmc$ 194 $S3_{4}$(II), Catapleiite (Obsolete)
SP8Q H$_{3}$NaO$_{3}$Zn 4 64 tP64 A3BC3D_tP64_106_3c_c_3c_c-001 $P4_2bc$ 106
087H HNb 2 4 oC8 AB_oC8_66_a_e-001 $Cccm$ 66
JAKV H$_{12}$NiO$_{10}$S 4 96 tP96 $H4_{5}$ A12BC10D_tP96_92_6b_a_5b_a-001 $P4_12_12$ 92 $H4_{5}$, Retgersite
S9KY H$_{14}$NiO$_{11}$S 4 108 oP108 $H4_{12}$ A14BC11D_oP108_19_14a_a_11a_a-001 $P2_12_12_1$ 19 $H4_{12}$, Morenosite
XBJQ H$_{15}$O$_{46}$PW$_{12}$ 4 184 cP184 A27B52CD12_cP184_224_dl_eh3k_a_k-001 $Pn\overline{3}m$ 224 Phosphoric Acid
JDN7 H$_{18}$O$_{10}$Sr 3 116 tP116 A18B10C_tP116_130_2c4g_2c2g_a-001 $P4/ncc$ 130
7K4Q H$_{6}$O$_{6}$Te 3 152 cF608 A12B6C_cF608_210_4h_2h_e-001 $F4_132$ 210
MSL9 H$_{6}$O$_{6}$Te 2 56 cF224 A6B_cF224_228_h_c-001 $Fd\overline{3}c$ 228 (Obsolete)
LNCX HO$_{2}$Y 3 6 mP6 ABC_mP6_11_e_e_e-001 $P2_1/m$ 11
HY2J H$_{2}$O$_{2}$Zn 3 20 oP20 $C31$ A2B2C_oP20_19_2a_2a_a-001 $P2_12_12_1$ 19 $C31$, Wülfingite
CCPW H$_{3}$P 2 16 cP16 A3B_cP16_208_i_c-001 $P4_232$ 208
XBGP H$_{3}$PZr$_{3}$ 3 64 tP64 A4BC3_tP64_133_2k_h_i2j-001 $P4_2/nbc$ 133
7FZR H$_{2}$S 2 12 oC24 A2B_oC24_64_2f_f-001 $Cmce$ 64 HP, Theory
GRWY H$_{2}$S 2 48 tP48 A2B_tP48_77_8d_4d-001 $P4_2$ 77 H$_{2}$S III
PC8F H$_{2}$S 2 12 oP12 A2B_oP12_26_abc_ab-001 $Pmc2_1$ 26 HP, Theory
Q769 H$_{2}$S 2 6 aP6 A2B_aP6_2_aei_i-001 $P\overline{1}$ 2 HP, Theory
UVJS H$_{2}$S 2 12 mP12 A2B_mP12_7_4a_2a-001 $Pc$ 7 H$_{2}$S IV
VYK4 H$_{2}$S 2 12 mP12 A2B_mP12_13_2g_ef-001 $P2/c$ 13 HP, Theory
4LGD H$_{3}$S 2 16 oI32 A3B_oI32_23_ef2k_k-001 $I222$ 23 5 GPa
DQEU H$_{3}$S 2 32 oC64 A3B_oC64_66_gi2lm_2l-001 $Cccm$ 66 HP, Theory
P2LA H$_{3}$S 2 4 hR4 A3B_hR4_160_b_a-001 $R3m$ 160 HP Theory
VV0Z H$_{3}$S 2 4 cI8 A3B_cI8_229_b_a-001 $Im\overline{3}m$ 229 200 GPa High-$T_{c}$
4GNV H$_{2}$Sr 2 12 oP12 $C29$ A2B_oP12_62_2c_c-004 $Pnma$ 62 $C29$
6XPU HTa$_{2}$ 2 3 oC6 AB2_oC6_21_a_k-001 $C222$ 21
R0C0 H$_{2}$Th 2 3 tI6 $L'2_{b}$ A2B_tI6_139_d_a-001 $I4/mmm$ 139 $L'2_{b}$
4UMV H$_{3}$U 2 32 cP32 A3B_cP32_223_k_ac-001 $Pm\overline{3}n$ 223 β-UH$_{3}$
6B3F H$_{3}$V$_{4}$ 2 14 oP14 A3B4_oP14_49_ej_2q-001 $Pccm$ 49 δ-V$_{4}$D$_{3}$
CNLR (H$_{2}$O)Mg$_{6}$O$_{11}$(OH)$_{6}$Si$_{4}$ 5 56 mC112 $S4_{5}$ AB6C11D6E4_mC112_12_e_gi2j_i5j_2i2j_2j-001 $C2/m$ 12 $S4_{5}$, Chrysotile
L4VZ (H$_{2}$O)$_{2}$Na$_{2}$O$_{9}$Si$_{3}$Zr 5 72 mC144 A2B3C9D3E_mC144_15_2f_abcef_9f_3f_de-001 $C2/c$ 15 Catapleiite
E8XB (H$_{2}$O)$_{5}$O$_{40}$PW$_{12}$ 4 116 cP116 $H4_{16}$ A5B40CD12_cP116_224_bd_e3k_a_k-001 $Pn\overline{3}m$ 224 $H4_{16}$, Phosphotungstic Acid
E0G5 (H$_{2}$O)$_{8}$O$_{2}$Sr 3 11 tP11 $E6_{2}$ A8B2C_tP11_123_r_h_a-001 $P4/mmm$ 123 $E6_{2}$ (Possibly Obsolete)
QEVQ (H$_{2}$O)$_{8}$(OH)$_{2}$Sr 3 11 tP11 $E6_{1}$ A8B2C_tP11_123_r_e_b-001 $P4/mmm$ 123 $E6_{1}$, (Obsolete)
W7BE H$_{2}$O$_{10}$Si$_{2}$Zn$_{4}$ 4 20 oI40 $S2_{2}$ A2B5CD2_oI40_44_2c_abcde_d_e-001 $Imm2$ 44 $S2_{2}$, Hemimorphite
R1HF (H$_{3}$O)$_{3}$O$_{40}$PW$_{12}$ 4 112 cP112 A3B40CD12_cP112_224_d_e3k_a_k-001 $Pn\overline{3}m$ 224 Phosphoric Acid
8883 Hf$_{10}$S$_{3}$Ta$_{3}$ 3 32 cI64 A11B3C2_cI64_197_cdf_e_c-001 $I23$ 197
8ZQP Hg 1 1 hR1 $A10$ A_hR1_166_a-002 $R\overline{3}m$ 166 $A10$, α-Hg
2F93 HgI$_{2}$ 2 6 tP6 $C13$ AB2_tP6_137_a_d-001 $P4_2/nmc$ 137 $C13$, Coccinite
L566 HgI$_{2}$ 2 24 tP24 AB2_tP24_137_g_cdf-001 $P4_2/nmc$ 137 Orange (II) HgI$_{2}$
Q9V3 HgI$_{2}$ 2 24 tI48 AB2_tI48_141_h_2eg-001 $I4_1/amd$ 141 Orange (I) HgI$_{2}$
RJ86 HgI$_{2}$ 2 12 tP12 AB2_tP12_115_j_egi-001 $P\overline{4}m2$ 115 `Averaged' Orange HgI$_{2}$
TQ0B Hg$_{2}$INaO$_{2}$ 4 18 hP18 A2BCD2_hP18_180_f_c_b_i-001 $P6_222$ 180
EXRV Hg$_{3}$I$_{2}$S$_{2}$ 3 28 oI56 A3B2C2_oI56_74_fhi_2ei_j-001 $Imma$ 74
Z85J HgI$_{6}$Tl$_{4}$ 3 22 tP22 AB6C4_tP22_104_a_2ac_c-001 $P4nc$ 104
TWQQ Hg$_{2}$K 2 6 oI12 A2B_oI12_74_h_e-001 $Imma$ 74
QCMW Hg$_{7}$K$_{2}$ 2 9 hP9 A7B2_hP9_164_ai_d-001 $P\overline{3}m1$ 164
9PR5 Hg$_{7}$K$_{5}$ 2 48 oP48 A7B5_oP48_57_c3e_5d-001 $Pbcm$ 57
BAHM Hg$_{5}$Mn$_{2}$ 2 14 tP14 A5B2_tP14_127_cj_g-001 $P4/mbm$ 127
KSW9 HgN$_{6}$ 2 28 oP28 AB6_oP28_29_a_6a-001 $Pca2_1$ 29 Mercury (II) Azide
BVCU HgNa 2 8 oC16 AB_oC16_63_g_2c-001 $Cmcm$ 63
T3N4 Hg$_{2}$Na$_{3}$ 2 20 tP20 A2B3_tP20_136_j_cfg-001 $P4_2/mnm$ 136
6LGV HgNa$_{2}$O$_{2}$ 3 5 tI10 AB2C2_tI10_139_a_e_e-001 $I4/mmm$ 139
JQ93 HgO$_{2}$ 2 12 oP12 AB2_oP12_61_a_c-001 $Pbca$ 61 β-HgO$_{2}$
RMCX HgO$_{2}$ 2 3 mC6 AB2_mC6_12_a_i-004 $C2/m$ 12 α-HgO$_{2}$
78LF Hg$_{4}$Pt 2 5 cI10 A4B_cI10_229_c_a-001 $Im\overline{3}m$ 229 β-Hg$_{4}$Pt
DCW7 HgPt$_{2}$Se$_{3}$ 3 12 hP12 AB2C3_hP12_164_d_ae_i-001 $P\overline{3}m1$ 164 Jacutingaite
A3TK HgS 2 6 hP6 $B9$ AB_hP6_154_a_b-001 $P3_221$ 154 $B9$, Cinnabar
3V7H HgSn$_{6-10}$ 1 1 hP1 $A_{f}$ A_hP1_191_a-001 $P6/mmm$ 191 $A_{f}$
KF2N HoMn$_{2}$O$_{5}$ 3 32 oP32 AB2C5_oP32_55_g_eh_fghi-001 $Pbam$ 55
VN5Q Ho$_{2}$O$_{7}$Si$_{2}$ 3 44 aP44 A2B7C2_aP44_2_4i_14i_4i-001 $P\overline{1}$ 2 α-Ho$_{2}$Si$_{2}$O$_{7}$
TWS9 Ho$_{2}$S$_{3}$ 2 30 mP30 A2B3_mP30_11_6e_9e-001 $P2_1/m$ 11
DD5U HoSb$_{2}$ 2 3 oC6 AB2_oC6_21_a_k-002 $C222$ 21
234K I 1 4 oC8 $A14$ A_oC8_64_f-003 $Cmce$ 64 $A14$
6B26 ILiO$_{3}$ 3 10 hP10 $E2_{3}$ ABC3_hP10_182_c_b_g-001 $P6_322$ 182 $E2_{3}$ (Obsolete)
9SQG ILiO$_{3}$ 3 40 tP40 ABC3_tP40_86_g_g_3g-001 $P4_2/n$ 86 β-LiIO$_{3}$
DF6Y ILiO$_{3}$ 3 10 hP10 ABC3_hP10_173_b_a_c-001 $P6_3$ 173 α-LiIO$_{3}$
P3HQ ILiO$_{3}$ 3 20 oP20 ABC3_oP20_33_a_a_3a-001 $Pna2_1$ 33 γ-LiIO$_{3}$
BL96 I$_{3}$LiSc 3 10 hP10 A3BC_hP10_188_k_a_c-001 $P\overline{6}c2$ 188
DE18 I$_{3}$(NH$_{4}$) 2 16 oP16 $D0_{16}$ A3B_oP16_62_3c_c-002 $Pnma$ 62 $D0_{16}$
MTWW I$_{4}$Nb 2 20 oC40 A4B_oC40_36_4a2b_b-001 $Cmc2_1$ 36 α-NiI$_{4}$
RB2M I$_{3}$P 2 8 hP8 A3B_hP8_173_c_b-001 $P6_3$ 173
V85G I$_{4}$P$_{2}$ 2 6 aP6 A2B_aP6_2_2i_i-001 $P\overline{1}$ 2
8TMQ I$_{3}$S$_{24}$Sb 3 28 hR28 A3B24C_hR28_160_b_2b3c_a-001 $R3m$ 160
YTD1 ISSm 3 6 hR6 ABC_hR6_166_c_c_c-001 $R\overline{3}m$ 166
4HFE ISe$_{8}$Ta$_{2}$ 3 22 tI44 AB8C2_tI44_97_e_2k_cd-001 $I422$ 97
MJPK I$_{4}$Sn 2 40 cP40 A4B_cP40_205_cd_c-001 $Pa\overline{3}$ 205
7JBJ I$_{3}$Th 2 32 oC64 A3B_oC64_66_kl2m_acl-001 $Cccm$ 66
F5BG In 1 1 tI2 $A6$ A_tI2_139_a-001 $I4/mmm$ 139 $A6$
YFFG In$_{3}$Ir 2 16 tP16 A3B_tP16_136_cj_f-001 $P4_2/mnm$ 136
7246 InNaO$_{8}$W$_{2}$ 4 24 mP24 ABC8D2_mP24_13_e_f_4g_g-001 $P2/c$ 13
X5ZH InNi$_{2}$ 2 6 hP6 $B8_{2}$ AB2_hP6_194_c_ad-001 $P6_3/mmc$ 194 $B8_{2}$
SUXC InPS$_{4}$ 3 6 tI12 ABC4_tI12_82_a_c_g-001 $I\overline{4}$ 82
0ZUR In$_{3}$Ru 2 16 tP16 A3B_tP16_118_ei_f-001 $P\overline{4}n2$ 118
A7M6 InS 2 8 oP8 AB_oP8_58_g_g-001 $Pnnm$ 58
PJGC In$_{2}$S$_{3}$ 2 40 tI80 A2B3_tI80_141_ceh_3h-001 $I4_1/amd$ 141 β-In$_{2}$S$_{3}$
B01P In$_{4}$Se$_{3}$ 2 28 oP28 A4B3_oP28_58_4g_3g-001 $Pnnm$ 58
A3RY In$_{2}$Te$_{5}$ 2 42 mC84 A2B5_mC84_15_3f_e7f-001 $C2/c$ 15 In$_{2}$Te$_{5}$ (II)
FD0C In$_{2}$Te$_{5}$ 2 14 mC28 A2B5_mC28_9_2a_5a-001 $Cc$ 9 In$_{2}$Te$_{5}$ (I)
DJRQ In$_{3}$Te$_{4}$ 2 7 hR7 A3B4_hR7_166_ac_2c-001 $R\overline{3}m$ 166
9VYY IrLi$_{2}$O$_{3}$ 3 48 oC96 AB2C3_oC96_66_ik_cdj2k_gl2m-001 $Cccm$ 66 γ-Li$_{2}$IrO$_{3}$
EHYC IrO$_{4}$Sr$_{2}$ 3 28 tI56 AB4C2_tI56_142_a_df_d-001 $I4_1/acd$ 142
UH0Z IrSe$_{2}$ 2 24 oP24 AB2_oP24_62_2c_4c-001 $Pnma$ 62
S2CY IrV 2 4 oC8 AB_oC8_65_g_j-001 $Cmmm$ 65 α-IrV
15N7 Ir$_{3}$Zr$_{5}$ 2 48 hP48 A3B5_hP48_178_ac_a2bc-001 $P6_122$ 178
TLFW KH$_{2}$PO$_{4}$ 4 20 tI40 $H2_{2}$ A4BC4D_tI40_122_e_b_e_a-001 $I\overline{4}2d$ 122 $H2_{2}$
F86C KLiO$_{4}$S 4 14 hP14 $H1_{4}$ ABC4D_hP14_173_a_b_bc_b-001 $P6_3$ 173 $H1_{4}$
98LD K$_{2}$Mg$_{2}$O$_{12}$S$_{3}$ 4 76 cP76 A2B2C12D3_cP76_198_2a_2a_4b_b-001 $P2_13$ 198 Langbeinite
JSKP KNO$_{2}$ 3 16 mP16 ABC2_mP16_14_e_e_2e-003 $P2_1/c$ 14 Potassium Nitrite
X9AR KNO$_{2}$ 3 4 mC8 $F5_{11}$ ABC2_mC8_8_a_a_b-001 $Cm$ 8 $F5_{11}$, (Obsolete)
3DEN KNO$_{3}$ 3 20 oP20 ABC3_oP20_62_c_c_cd-001 $Pnma$ 62 α-KNO$_{3}$ Structure I
3YA6 KNO$_{3}$ 3 40 oC80 ABC3_oC80_36_2ab_2ab_2a5b-001 $Cmc2_1$ 36 α-KNO$_{3}$ Structure II
V4KY KNO$_{3}$ 3 5 hR5 ABC3_hR5_160_a_a_b-002 $R3m$ 160 γ-KNO$_{3}$
XD6C KNO$_{3}$ 3 8 hR8 ABC6_hR8_166_a_b_h-001 $R\overline{3}m$ 166 β-KNO$_{3}$ Structure
Z1Y1 KNaO$_{4}$S 4 14 hP14 ABC4D_hP14_156_ac_bc_ab2d_ab-001 $P3m1$ 156
9RQB K$_{3}$NaO$_{8}$S$_{2}$ 4 14 hP14 A3BC8D2_hP14_164_ad_b_di_d-001 $P\overline{3}m1$ 164 Aphthitalite/Glaserite
F0JR KNa$_{2}$O$_{15}$Si$_{6}$Y 5 50 oI100 AB2C15D6E_oI100_74_e_g_e2hi2j_hj_a-001 $Imma$ 74 Moskvinite
HZUD KO 2 8 oC16 AB_oC16_64_e_f-002 $Cmce$ 64
YVPA KO$_{3}$S 3 30 hP30 $K1_{1}$ AB3C_hP30_150_ef_3g_c2d-001 $P321$ 150 $K1_{1}$
HEYH K$_{2}$O$_{4}$S 3 28 oP28 $H1_{6}$ A2B4C_oP28_62_2c_2cd_c-001 $Pnma$ 62 $H1_{6}$, Arcanite
YYGA K$_{2}$O$_{5}$S$_{2}$ 3 18 mP18 $K0_{1}$ A2B5C2_mP18_11_2e_e2f_2e-001 $P2_1/m$ 11 $K0_{1}$
PD3R K$_{2}$O$_{6}$S$_{3}$ 3 44 oP44 $K5_{1}$ A2B6C3_oP44_62_2c_2c2d_3c-001 $Pnma$ 62 $K5_{1}$
WX0M KO$_{3}$Sb 3 60 cP60 AB3C_cP60_201_be_fh_g-001 $Pn\overline{3}$ 201 HT
JYHJ K$_{2}$O$_{5}$Ti$_{2}$ 3 9 mC18 A2B5C2_mC18_12_i_a2i_i-001 $C2/m$ 12
LCR4 K$_{3}$O$_{15}$W$_{3}$ 3 46 tP46 A3B15C5_tP46_127_bh_cg2ij_di-001 $P4/mbm$ 127 Potassium Bronze
F3SY K$_{2}$Pt(SCN)$_{6}$ 3 9 hP9 $H6_{3}$ A2BC6_hP9_164_d_a_i-001 $P\overline{3}m1$ 164 $H6_{3}$
36FH K$_{2}$S$_{3}$ 2 10 oC20 A2B3_oC20_36_2a_ab-001 $Cmc2_1$ 36
F3TR KSb$_{5}$V$_{3}$ 3 9 hP9 AB5C3_hP9_191_b_ah_f-001 $P6/mmm$ 191
GCVK K$_{2}$Te$_{3}$ 2 20 oP20 A2B3_oP20_62_d_3c-001 $Pnma$ 62
9631 La 1 4 hP4 $A3'$ A_hP4_194_ac-001 $P6_3/mmc$ 194 $A3'$, α-La
GXVQ LaFe$_{4}$P$_{12}$ 3 17 cI34 A4BC12_cI34_204_c_a_g-001 $Im\overline{3}$ 204 Filled Skutterudite
Z34R La$_{43}$Mg$_{5}$Ni$_{17}$ 3 130 oC260 A43B5C17_oC260_63_c8fg6h_cfg_ce3f2h-001 $Cmcm$ 63
6NJM La$_{3}$Mn$_{2}$O$_{14}$Sb$_{3}$ 4 22 hR22 A3B2C14D3_hR22_166_d_ab_c2h_e-001 $R\overline{3}m$ 166
4LJZ La$_{2}$Ni$_{3}$ 2 10 oC20 A2B3_oC20_64_f_ae-001 $Cmce$ 64
69JP La$_{2}$NiO$_{4}$ 3 28 oP28 A2BC4_oP28_50_gh_ac_ghm-001 $Pban$ 50 Orthorhombic Phase
J1M9 La$_{2}$NiO$_{4}$ 3 28 tP28 A2BC4_tP28_138_i_c_aei-001 $P4_2/ncm$ 138 Tetragonal Phase
D3QE La$_{2}$O$_{3}$ 2 5 hP5 $D5_{2}$ A2B3_hP5_164_d_ad-001 $P\overline{3}m1$ 164 $D5_{2}$
G325 LaO$_{4}$P 3 24 mP24 AB4C_mP24_14_e_4e_e-002 $P2_1/c$ 14 Monasite
RTEY LaPtSi 3 6 tI12 ABC_tI12_109_a_a_a-001 $I4_1md$ 109
1DPD La$_{3}$Rh$_{4}$Sn$_{13}$ 3 160 cI320 A3B4C13_cI320_214_gh_abgh_e4i-001 $I4_132$ 214
JSY8 LaRu$_{3}$Si$_{2}$ 3 12 hP12 AB3C2_hP12_176_b_h_f-001 $P6_3/m$ 176
BTF5 Li 1 8 cI16 A_cI16_220_c-001 $I\overline{4}3d$ 220 38.9 GPa
HJWV Li$_{7}$MnN$_{4}$ 3 96 cP96 A7BC4_cP96_218_bcefi_ad_ei-001 $P\overline{4}3n$ 218
R3L4 Li$_{2}$MnO$_{3}$ 3 12 mC24 A2BC3_mC24_12_acg_h_ij-002 $C2/m$ 12
RYZL Li$_{3}$N 2 4 hP4 A3B_hP4_191_bc_a-001 $P6/mmm$ 191
MZR4 LiNaO$_{15}$Si$_{6}$Zr 5 96 oC192 ABC15D6E_oC192_64_d_e_3f6g_3g_e-001 $Cmce$ 64 Zektzerite
FZF0 LiNbO$_{3}$ 3 10 hR10 ABC3_hR10_161_a_a_b-001 $R3c$ 161 Ferroelectric
JV7G LiO 2 8 hP8 AB_hP8_194_ac_f-003 $P6_3/mmc$ 194
TXPE LiONbO$_{3}$ 3 10 hR10 ABC3_hR10_167_a_b_e-001 $R\overline{3}c$ 167 Paraelectric
0L2F Li$_{3}$O$_{4}$P 3 16 oP16 A3B4C_oP16_31_ab_2ab_a-002 $Pmn2_1$ 31 β-Li$_{3}$PO$_{4}$
BGS4 LiO$_{4}$PZn 4 42 hR42 AB4CD_hR42_146_2b_8b_2b_2b-001 $R3$ 146 Rhomb. LiZnPO$_{4}$
FVBE LiO$_{4}$PZn 4 28 oP28 AB4CD_oP28_33_a_4a_a_a-001 $Pna2_1$ 33 δ$_{1}$-LiZnPO$_{4}$
L704 LiO$_{4}$PZn 4 112 mC224 AB4CD_mC224_9_8a_32a_8a_8a-001 $Cc$ 9 α-LiZnPO$_{4}$
2B54 Li$_{2}$O$_{3}$Pr 3 6 oC12 A2B3C_oC12_65_h_ah_b-001 $Cmmm$ 65
72ZM Li$_{3}$O$_{6}$SbZn$_{2}$ 4 12 mC24 A3B6CD2_mC24_12_ag_ij_c_h-001 $C2/m$ 12
JE1T Li$_{2}$O$_{5}$Si$_{2}$ 3 18 oC36 A2B5C2_oC36_37_d_c2d_d-001 $Ccc2$ 37
L1GH Li$_{7}$O$_{6}$Ta 3 15 hR15 A8B6C_hR15_148_cf_f_a-001 $R\overline{3}$ 148
T7PA Li$_{2}$O$_{6}$TeZr 4 10 hR10 A2B6CD_hR10_146_2a_2b_a_a-001 $R3$ 146
FCSA Li$_{7}$Pb$_{2}$ 2 9 hP9 A7B2_hP9_164_ac2d_d-001 $P\overline{3}m1$ 164
758U Li$_{8}$Pb$_{2}$ 2 11 hR11 A8B3_hR11_166_4c_ac-001 $R\overline{3}m$ 166
4E2L Li$_{17}$Pb$_{4}$ 2 105 cF420 A17B4_cF420_216_a6efg4h_2efg-001 $F\overline{4}3m$ 216
DA98 Li$_{2}$Sb 2 18 hP18 A2B_hP18_190_gh_bf-001 $P\overline{6}2c$ 190
GA7M Li$_{22}$Si$_{5}$ 2 108 cF432 A22B5_cF432_196_abcd6efg4h_2efg-001 $F23$ 196
1GTY LiSn 2 12 tI24 AB_tI24_141_ae_be-001 $I4_1/amd$ 141 β-LiSn
QVV1 LiSn 2 6 mP6 AB_mP6_10_bn_cm-001 $P2/m$ 10 α-LiSn
YDAL Li$_{7}$Sn$_{3}$ 2 20 mP20 A7B3_mP20_11_7e_3e-001 $P2_1/m$ 11
G8A6 Li$_{13}$Sn$_{5}$ 2 18 hP18 A13B5_hP18_164_a2c4d_b2d-001 $P\overline{3}m1$ 164
CY59 LiZn$_{2}$ 2 4 hP4 $C_{k}$ AB_hP4_194_a_c-003 $P6_3/mmc$ 194 $C_{k}$
YGS5 LuMnO$_{3}$ 3 30 hP30 ABC3_hP30_185_ab_c_ab2c-001 $P6_3cm$ 185
LZW5 Mg 1 2 hP2 $A3$ A_hP2_194_c-001 $P6_3/mmc$ 194 $A3$
4YGB Mg$_{6}$MnO$_{8}$ 3 15 cF60 A6BC8_cF60_225_d_a_ce-001 $Fm\overline{3}m$ 225
HV5V MgNi$_{2}$ 2 24 hP24 $C36$ AB2_hP24_194_ef_fgh-001 $P6_3/mmc$ 194 $C36$, Hexagonal Laves
TDY8 Mg$_{2}$Ni 2 18 hP18 $C_{a}$ A2B_hP18_180_fj_ac-001 $P6_222$ 180 $C_{a}$
LR8K MgNiSn 3 32 tP32 A7B7C2_tP32_101_ade_bde_d-001 $P4_2cm$ 101 Y-MgNiSn
BT10 Mg$_{3}$O$_{5}$(OH)$_{4}$Si$_{2}$ 4 28 mC56 A3B5C4D2_mC56_9_3a_5a_4a_2a-001 $Cc$ 9 Chrysotile
RDRH Mg$_{3}$O$_{5}$(OH)$_{4}$Si$_{2}$ 4 56 mC112 $S5_{5}$ A3B5C4D2_mC112_15_a3ef_5f_4f_2f-001 $C2/c$ 15 $S5_{5}$, Clinochlore
FNXT MgO$_{4}$S 3 12 oC24 ABC4_oC24_63_c_a_fg-001 $Cmcm$ 63
BCSA MgO$_{3}$Si 3 10 oC20 AB3C_oC20_63_c_cf_a-001 $Cmcm$ 63 121GPa, 300K
N16Y MgO$_{3}$Si 3 80 oP80 $S4_{3}$ AB3C_oP80_61_2c_6c_2c-001 $Pbca$ 61 $S4_{3}$, Enstatite
V88M Mg$_{2}$O$_{4}$Si 3 28 oP28 $S1_{2}$ A2B4C_oP28_62_ac_2cd_c-001 $Pnma$ 62 $S1_{2}$, Forsterite
K70X Mg$_{3}$O$_{6}$Te 3 20 hR20 A3B6C_hR20_148_f_2f_ab-001 $R\overline{3}$ 148
2SHQ MgO$_{4}$W 3 12 mP12 $H0_{6}$ AB4C_mP12_13_e_2g_f-003 $P2/c$ 13 $H0_{6}$, Huanzalaite
LQ7A Mg$_{3}$P$_{2}$ 2 10 cP10 $D5_{5}$ A3B2_cP10_224_d_b-001 $Pn\overline{3}m$ 224 $D5_{5}$
6QE7 Mg$_{3}$Ru$_{2}$ 2 20 cP20 A3B2_cP20_213_d_c-001 $P4_132$ 213
DU5B Mg$_{4}$Sr 2 90 hP90 A4B_hP90_194_e2fgh4k_hk-001 $P6_3/mmc$ 194
WDVJ MgZn 2 24 oI48 $B30$ AB_oI48_44_6c_abc2de-001 $Imm2$ 44 $B30$, Problematic
LL0C MgZn$_{2}$ 2 12 hP12 $C14$ AB2_hP12_194_f_ah-001 $P6_3/mmc$ 194 $C14$, Hexagonal Laves
5R9K MgZn$_{5}$ 2 24 mC48 $D2_{2}$ AB5_mC48_12_2i_ac5i2j-001 $C2/m$ 12 $D2_{2}$, Problematic
8FHP Mg$_{2}$Zn$_{11}$ 2 39 cP39 $D8_{c}$ A2B11_cP39_200_f_begik-001 $Pm\overline{3}$ 200 $D8_{c}$
4VEQ Mn 1 20 cP20 $A13$ A_cP20_213_cd-001 $P4_132$ 213 $A13$
SV19 Mn 1 29 cI58 $A12$ A_cI58_217_ac2g-001 $I\overline{4}3m$ 217 $A12$, α-Mn
E23Q MnHO$_{2}$ 3 16 mP16 $E0_{6}$ ABC2_mP16_14_e_e_2e-004 $P2_1/c$ 14 $E0_{6}$, Manganite
M5NA Mn$_{7}$NaO$_{12}$ 3 20 cI40 A7BC12_cI40_204_bc_a_g-001 $Im\overline{3}$ 204 Double Perovskite
GPQH Mn$_{4}$Nb$_{2}$O$_{9}$ 3 30 hP30 A4B2C9_hP30_165_2d_c_fg-001 $P\overline{3}c1$ 165
G3EF Mn$_{2}$O$_{3}$ 3 40 cI80 $D5_{3}$ AB3C6_cI80_206_a_d_e-001 $Ia\overline{3}$ 206 $D5_{3}$, Bixbyite
KP7A Mn$_{3}$O$_{4}$ 2 14 tI28 A3B4_tI28_141_ad_h-001 $I4_1/amd$ 141 Haussmannite
63FP MnO$_{6}$PbTe 4 9 hP9 AB6CD_hP9_149_a_l_d_e-001 $P312$ 149
5YFD Mn$_{7}$O$_{12}$Sr 3 20 hR20 A7B12C_hR20_148_ade_2f_b-001 $R\overline{3}$ 148
QXEE MnO$_{6}$Sr$_{2}$Te 4 20 mP20 AB6C2D_mP20_14_a_3e_e_b-001 $P2_1/c$ 14 Double Perovskite
36ZK MnP 2 8 oP8 $B31$ AB_oP8_62_c_c-002 $Pnma$ 62 $B31$
UPGR MnPS$_{3}$ 3 10 mC20 ABC3_mC20_12_g_i_ij-001 $C2/m$ 12
1YSS Mn$_{1.4}$PtSn 3 14 tI28 A3B2C2_tI28_122_ad_c_d-001 $I\overline{4}2d$ 122
4BRY Mn$_{2}$RhSn 3 4 tI8 A2BC_tI8_119_ac_b_d-001 $I\overline{4}m2$ 119 Tetragonal Inverse Heusler
2NXF Mn$_{4}$Si$_{7}$ 2 44 tP44 A4B7_tP44_116_ach2i_e3j-001 $P\overline{4}c2$ 116 Nowotny Chimney-Ladder
AQ0J Mn$_{5}$Si$_{3}$ 2 16 hP16 $D8_{8}$ A5B3_hP16_193_dg_g-001 $P6_3/mcm$ 193 $D8_{8}$, Mavlyanovite
ELB0 Mn$_{3}$Si$_{2}$Te$_{6}$ 3 22 hP22 A3B2C6_hP22_163_cf_e_i-001 $P\overline{3}1c$ 163
P4UA Mn$_{3}$Si$_{5}$U$_{2}$ 3 40 tP40 A3B5C2_tP40_128_dh_egh_h-001 $P4/mnc$ 128
AJGV Mn$_{12}$Th 2 13 tI26 $D2_{b}$ A12B_tI26_139_fij_a-001 $I4/mmm$ 139 $D2_{b}$
W8MF Mn$_{23}$Th$_{6}$ 2 29 cF116 $D8_{a}$ A23B6_cF116_225_ad2f_e-001 $Fm\overline{3}m$ 225 $D8_{a}$
1Q6T MnU$_{6}$ 2 14 tI28 $D2_{c}$ AB6_tI28_140_a_hk-001 $I4/mcm$ 140 $D2_{c}$
0H5D Mo$_{2}$Na$_{2}$O$_{7}$ 3 44 oC88 A2B2C7_oC88_64_ef_df_3f2g-001 $Cmce$ 64
VMNQ MoNi$_{4}$ 2 5 tI10 $D1_{a}$ AB4_tI10_87_a_h-001 $I4/m$ 87 $D1_{a}$
D1PM MoNiP$_{2}$ 3 8 hP8 ABC2_hP8_194_b_a_f-001 $P6_3/mmc$ 194
2C2N MoO$_{3}$ 2 16 oP16 $D0_{8}$ AB3_oP16_62_c_3c-001 $Pnma$ 62 $D0_{8}$ Molybdite
5T76 Mo$_{8}$O$_{23}$ 2 124 mP124 A8B23_mP124_7_16a_46a-001 $Pc$ 7 LT
UWFW Mo$_{8}$O$_{23}$ 2 62 mP62 A8B23_mP62_13_4g_a11g-001 $P2/c$ 13 HT, Approximate
484W Mo$_{17}$O$_{47}$ 2 128 oP128 A17B47_oP128_32_a8c_a23c-001 $Pba2$ 32
N6T3 MoO$_{5}$P 3 14 tP14 AB5C_tP14_85_c_cg_a-001 $P4/n$ 85
2HE4 MoO$_{11}$P$_{3}$Si 4 64 mC128 AB11C3D_mC128_15_f_ae10f_3f_f-001 $C2/c$ 15 Monoclinic Model
A76C MoO$_{11}$P$_{3}$Si 4 64 hR64 AB11C3D_hR64_167_c_be3f_f_c-001 $R\overline{3}c$ 167 Rhombohedral Model
7YK7 Mo$_{2}$O$_{8}$PrRb 4 24 oP24 A2B8CD_oP24_48_h_2m_a_b-001 $Pnnn$ 48 α-RbPr[MoO$_{4}$]$_{2}$
CBWE Mo$_{2}$O$_{7}$Rb$_{2}$ 3 44 oC88 A2B7C2_oC88_40_abc_2b6c_a3b-001 $Ama2$ 40
8B57 MoO$_{8}$V$_{2}$ 3 11 oC22 AB8C2_oC22_35_a_ab3d_d-002 $Cmm2$ 35
DG1Q Mo$_{3}$O$_{8}$Zn$_{2}$ 3 26 hP26 A3B8C2_hP26_186_c_ab2c_2b-001 $P6_3mc$ 186
JTSA MoP$_{2}$ 2 6 oC12 AB2_oC12_36_a_2a-002 $Cmc2_1$ 36
S9HM Mo$_{4}$P$_{3}$ 2 56 oP56 A4B3_oP56_62_8c_6c-001 $Pnma$ 62
LEL6 Mo$_{8}$P$_{5}$ 2 13 mP13 A8B5_mP13_6_5a3b_2a3b-001 $Pm$ 6
EKX0 MoPt$_{2}$ 2 3 oI6 AB2_oI6_71_a_e-001 $Immm$ 71
1G0H MoS$_{2}$ 2 12 hP12 AB2_hP12_143_ad_bc2d-001 $P3$ 143 Trigonal MoS$_{2}$
A8HJ MoS$_{2}$ 2 6 hP6 $C7$ AB2_hP6_194_c_f-001 $P6_3/mmc$ 194 $C7$, Molybdenite
EW06 MoS$_{2}$ 2 3 hR3 AB2_hR3_160_a_2a-001 $R3m$ 160 Rhombohedral MoS$_{2}$
MUP5 Mo$_{2}$S$_{3}$ 2 10 mP10 A2B3_mP10_11_2e_3e-001 $P2_1/m$ 11
NG7F MoSi$_{2}$ 2 3 tI6 $C11_{b}$ AB2_tI6_139_a_e-001 $I4/mmm$ 139 $C11_{b}$
84Y3 N 1 8 cP8 A_cP8_205_c-001 $Pa\overline{3}$ 205 α-N ($Pa\overline{3}$)
VHKA N 1 8 cP8 A_cP8_198_2a-001 $P2_13$ 198 α-N ($P2_{1}3$)
VJ5B N 1 4 tP4 A_tP4_136_f-001 $P4_2/mnm$ 136 γ-N
GED2 N$_{2}$(NH$_{3}$)$_{6}$NiO$_{6}$ 4 60 cP60 $H6_{4}$ A2B6CD6_cP60_205_c_d_a_d-001 $Pa\overline{3}$ 205 $H6_{4}$ (Obsolete)
80PK N(NH$_{4}$)O$_{3}$ 3 10 tP10 $G0_{9}$ ABC3_tP10_100_b_a_bc-001 $P4bm$ 100 $G0_{9}$, NH$_{4}$NO$_{3}$ II
8RDG N(NH$_{4}$)O$_{3}$ 3 20 oP20 $G0_{10}$ ABC3_oP20_62_c_c_cd-002 $Pnma$ 62 $G0_{10}$, NH$_{4}$NO$_{3}$ III
VGMG NO$_{2}$ 2 18 cI36 $C26_{a}$ AB2_cI36_199_b_c-001 $I2_13$ 199 $C26_{a}$, (Obsolete)
XJC7 NO$_{2}$ 2 18 cI36 $C26$ AB2_cI36_204_d_g-001 $Im\overline{3}$ 204 $C26$ or $C26_{b}$
LPJD N$_{2}$O$_{6}$Pb 3 36 cP36 $G2_{1}$ A2B6C_cP36_205_c_d_a-001 $Pa\overline{3}$ 205 $G2_{1}$
8BR1 N$_{2}$OSi$_{2}$ 3 10 oC20 A2BC2_oC20_36_b_a_b-001 $Cmc2_1$ 36
84DL NOTaZr 4 4 hP4 ABCD_hP4_187_c_b_a_f-001 $P\overline{6}m2$ 187
9173 N$_{5}$P$_{3}$ 2 16 mC32 A5B3_mC32_9_5a_3a-001 $Cc$ 9 α-P$_{3}$N$_{5}$
6BD5 NRe$_{3}$ 2 4 hP4 AB3_hP4_187_a_bh-001 $P\overline{6}m2$ 187
YXLR NS 2 32 mP32 AB_mP32_14_4e_4e-004 $P2_1/c$ 14
RDBP NSe 2 16 mC32 AB_mC32_15_2ef_2f-001 $C2/c$ 15
9UA2 N$_{4}$Si$_{3}$ 2 28 hP28 A4B3_hP28_159_ab2c_2c-001 $P31c$ 159 Nierite
Y4EE N$_{4}$Si$_{3}$ 2 14 hP14 A4B3_hP14_173_bc_c-001 $P6_3$ 173 β-Si$_{3}$N$_{4}$ (Forgeng, 1958)
YEJK N$_{4}$Si$_{3}$ 2 14 hP14 A4B3_hP14_176_ch_h-001 $P6_3/m$ 176 β-Si$_{3}$N$_{4}$ (Yang, 1995)
ASFW NSr 2 8 mC16 AB_mC16_12_2i_2i-001 $C2/m$ 12
GUN1 NV 2 8 tP8 AB_tP8_111_n_n-001 $P\overline{4}2m$ 111 150K
RBZR NV$_{2}$ 2 9 hP9 $L'3_{2}$ AB2_hP9_162_ad_k-001 $P\overline{3}1m$ 162 $L'3_{2}$, β-V$_{2}$N
Z07R NW$_{2}$ 2 9 hP9 AB2_hP9_164_ad_c2d-001 $P\overline{3}m1$ 164 $\delta_{H}^{II}$-NW$_{2}$
5YKM (NH$_{4}$)(NO$_{3}$) 2 2 cP2 $G0_{8}$ AB_cP2_221_a_b-001 $Pm\overline{3}m$ 221 $G0_{8}$, NH$_{4}$NO$_{3}$ I
1E0C (NH$_{4}$)O$_{4}$S 3 24 mP24 $K4_{1}$ AB4C_mP24_14_e_4e_e-001 $P2_1/c$ 14 $K4_{1}$, Ammonium Persulfate
UV9A NO$_{3}$Rb 3 45 hP45 AB3C_hP45_144_3a_9a_3a-001 $P3_1$ 144 RbNO$_{3}$ (IV)
3BFR Na 1 8 oP8 A_oP8_62_2c-002 $Pnma$ 62 HP
Q53X NaCl 2 2 cF8 $B1$ AB_cF8_225_a_b-001 $Fm\overline{3}m$ 225 $B1$, Halite/Rock Salt
QEXW NaClO$_{3}$ 3 20 cP20 $G0_{3}$ ABC3_cP20_198_a_a_b-001 $P2_13$ 198 Sodium Chlorate
JZVB NaNO$_{2}$ 3 4 oI8 $F5_{5}$ ABC2_oI8_44_a_a_c-001 $Imm2$ 44 $F5_{5}$, Sodium Nitrite
1JM3 NaNbO$_{3}$ 3 40 oP40 ABC3_oP40_57_cd_e_cd2e-001 $Pbcm$ 57 Lueshite
D6BJ NaNbO$_{3}$ 3 40 oP40 ABC3_oP40_17_abcd_2e_abcd4e-001 $P222_1$ 17 Lueshite polymorph
PQWK NaO 2 12 hP12 AB_hP12_189_fg_eh-001 $P\overline{6}2m$ 189
NFQU Na$_{2}$O$_{3}$Pr 3 24 mC48 A2B3C_mC48_15_aef_3f_2e-001 $C2/c$ 15
R1MG NaO$_{4}$Pt$_{3}$ 3 16 cP16 AB4C3_cP16_223_a_e_c-001 $Pm\overline{3}n$ 223
7WUP Na$_{2}$O$_{3}$Pt 3 24 oF96 A2B3C_oF96_70_2e_fh_e-001 $Fddd$ 70 β-Na$_{2}$PtO$_{3}$
H9Z3 Na$_{2}$O$_{3}$S 3 12 hP12 $G3_{2}$ A2B3C_hP12_147_abd_g_d-001 $P\overline{3}$ 147 $G3_{2}$
8CBQ Na$_{2}$O$_{4}$S 3 14 oF56 $H1_{7}$ A2B4C_oF56_70_e_h_a-001 $Fddd$ 70 $H1_{7}$, Thenardite
A8AW Na$_{4}$O$_{4}$Si 3 18 aP18 A4B4C_aP18_2_4i_4i_i-002 $P\overline{1}$ 2
NFNJ Na$_{11}$O$_{16}$U$_{5}$ 3 64 cP64 A11B16C5_cP64_208_bfh_adm_ce-001 $P4_232$ 208
NR43 Na(OH)$_{6}$Sb 3 32 tP32 $J1_{11}$ AB6C_tP32_86_c_3g_d-001 $P4_2/n$ 86 $J1_{11}$
MEBJ NaP 2 16 oP16 AB_oP16_19_2a_2a-001 $P2_12_12_1$ 19
7PRY NaP$_{3}$S$_{12}$Ti$_{2}$ 4 188 hP188 A13B6C24D4_hP188_184_2a4d_2d_8d_bd-001 $P6cc$ 184
X6RS NaPb 2 32 tI64 AB_tI64_142_ef_g-001 $I4_1/acd$ 142
J5ST Na$_{9}$Pb$_{4}$ 2 26 hP26 A9B4_hP26_194_ce3f_ef-001 $P6_3/mmc$ 194 δ'-NaPb
G1KV Na$_{13}$Pb$_{5}$ 2 36 hP36 A13B5_hP36_194_a2e4f_b2f-001 $P6_3/mmc$ 194 γ-NaPb
Q5KE NaS$_{2}$ 2 24 tI48 AB2_tI48_122_cd_2e-001 $I\overline{4}2d$ 122
58NH NaSi 2 16 mC32 AB_mC32_15_2f_2f-001 $C2/c$ 15
CHL9 NaTl 2 4 cF16 $B32$ AB_cF16_227_a_b-001 $Fd\overline{3}m$ 227 $B32$
PRYE Na$_{2}$Tl 2 24 oC48 A2B_oC48_20_ab3c_2c-001 $C222_1$ 20
DCLX NaZn$_{13}$ 2 28 cF112 $D2_{3}$ AB13_cF112_226_a_bi-001 $Fm\overline{3}c$ 226 $D2_{3}$
BN2Z NbNiTe$_{5}$ 3 14 oC28 ABC5_oC28_63_c_a_c2f-001 $Cmcm$ 63
H75X NbO 2 6 cP6 AB_cP6_221_c_d-001 $Pm\overline{3}m$ 221
2XGR NbO$_{2}$ 2 24 tI48 AB2_tI48_80_2b_4b-001 $I4_1$ 80 β-NbO$_{2}$
BLKR NbO$_{2}$ 2 48 tI96 AB2_tI96_88_2f_4f-001 $I4_1/a$ 88 α-NbO$_{2}$
S3CP Nb$_{2}$O$_{5}$ 2 14 mC28 A2B5_mC28_15_f_e2f-003 $C2/c$ 15 ζ- (or B-) Nb$_{2}$O$_{5}$
BPW1 Nb$_{12}$O$_{29}$ 2 41 mC82 A12B29_mC82_12_6i_a14i-001 $C2/m$ 12 Monoclinic Phase
V0KX Nb$_{12}$O$_{29}$ 2 82 oC164 A12B29_oC164_63_6f_3c13f-001 $Cmcm$ 63 Orthorhombic Phase
6QBH Nb$_{2}$O$_{6}$Sn 3 18 mC36 A2B6C_mC36_15_f_3f_e-001 $C2/c$ 15 Foordite
DKTF Nb$_{2}$O$_{17}$Zr$_{6}$ 3 50 oI100 A2B17C6_oI100_46_ab_b8c_3c-001 $Ima2$ 46
R06D NbP 2 4 tI8 ``40'' AB_tI8_141_a_b-001 $I4_1/amd$ 141 ``40'' Structure
EWT8 Nb$_{7}$P$_{4}$ 2 22 mC44 A7B4_mC44_12_ac6i_4i-001 $C2/m$ 12
BWRM Nb$_{8}$P$_{5}$ 2 54 oP54 A17B10_oP54_55_a3g5h_3g2h-001 $Pbam$ 55
B529 NbPS 3 6 oI12 ABC_oI12_71_e_h_f-001 $Immm$ 71
5BSF NbPd$_{3}$ 2 24 oP24 AB3_oP24_59_ae_befg-001 $Pmmn$ 59 β-NbPd$_{3}$
X0K9 Nb$_{2}$Pd$_{3}$Se$_{8}$ 3 26 oP26 A2B3C8_oP26_55_h_ag_2g2h-001 $Pbam$ 55
A6R9 NbPt$_{3}$ 2 16 mP16 AB3_mP16_11_2e_2e2f-001 $P2_1/m$ 11 β-NbPt$_{3}$, HT
Z5TL NbS$_{2}$ 2 6 hP6 AB2_hP6_194_b_f-002 $P6_3/mmc$ 194 Hexagonal HT
YM9E NbSe$_{2}$ 2 24 hP24 AB2_hP24_194_bh_fk-001 $P6_3/mmc$ 194 LT ($<40$K)
4LKF NbSe$_{3}$ 2 24 mP24 AB3_mP24_11_3e_9e-001 $P2_1/m$ 11
2691 Nb$_{2}$Se 2 12 mC24 A2B_mC24_12_4i_2i-004 $C2/m$ 12
Q45R Nb$_{6}$Sn$_{5}$ 2 22 oI44 A6B5_oI44_71_egkl_fghl-001 $Immm$ 71
FY6X NbTe$_{2}$ 2 9 mC18 AB2_mC18_12_ai_3i-002 $C2/m$ 12
MRXL NbTe$_{4}$ 2 10 tP10 AB4_tP10_103_a_d-001 $P4cc$ 103 HT
XFHX NbTe$_{4}$ 2 10 tP10 AB4_tP10_124_a_m-001 $P4/mcc$ 124 RT
FUM3 Nb$_{3}$Te$_{4}$ 2 14 hP14 A3B4_hP14_176_h_ch-002 $P6_3/m$ 176
W8GW Nd$_{4}$Ni$_{3}$O$_{8}$ 3 15 tI30 A4B3C8_tI30_139_2e_ae_cdg-002 $I4/mmm$ 139
8MQB Nd$_{4}$O$_{11}$Re$_{2}$ 3 68 tP68 A4B11C2_tP68_86_2g_ab5g_g-001 $P4_2/n$ 86
TYGX Nd$_{2}$O$_{7}$Si$_{2}$ 3 44 oP44 A2B7C2_oP44_19_2a_7a_2a-001 $P2_12_12_1$ 19
DZY0 NiO$_{2}$ 2 3 mC6 AB2_mC6_12_a_i-003 $C2/m$ 12
XMCY NiO$_{3}$Pr 3 10 hR10 AB3C_hR10_167_b_e_a-001 $R\overline{3}c$ 167
79Y1 NiO$_{6}$Sr$_{2}$Te 4 20 mC40 AB6C2D_mC40_12_ac_gh4i_j_bd-001 $C2/m$ 12
QP36 NiO$_{6}$Sr$_{2}$W 4 10 tI20 AB6C2D_tI20_87_a_eh_d_b-001 $I4/m$ 87 Double Perovskite
WHNY Ni$_{3}$P 2 16 tI32 $D0_{3}$ A3B_tI32_82_3g_g-001 $I\overline{4}$ 82 $D0_{3}$
13WH Ni$_{12}$P$_{5}$ 2 17 tI34 A12B5_tI34_87_hi_ah-001 $I4/m$ 87
SD1B Ni$_{3}$Pb$_{2}$S$_{2}$ 3 7 hR7 A3B2C2_hR7_166_d_ab_c-001 $R\overline{3}m$ 166 Shandite
WBF9 Ni$_{4}$Pu 2 15 mC30 A4B_mC30_12_gi2j_ai-001 $C2/m$ 12
MV4U NiS 2 6 hR6 $B13$ AB_hR6_160_b_b-001 $R3m$ 160 $B13$, Millerite
WQGS Ni$_{3}$S$_{2}$ 2 5 hR5 $D5_{3}$ A3B2_hR5_155_e_c-001 $R32$ 155 Hazelwoodite
T4VC Ni$_{7}$S$_{6}$ 2 28 oC56 A9B5_oC56_63_c4f_c2f-001 $Cmcm$ 63 α-Ni$_{7}$S$_{6}$
L6M4 Ni$_{9}$S$_{8}$ 2 34 oC68 A9B8_oC68_21_acehik2l_4l-001 $C222$ 21 Godlevskite
VHP8 NiSSb 3 12 cP12 $F0_{1}$ ABC_cP12_198_a_a_a-001 $P2_13$ 198 $F0_{1}$, Ullmanite
FETU NiS$_{5}$Ta$_{2}$ 3 16 oC32 AB5C2_oC32_63_c_c2f_f-004 $Cmcm$ 63
YFLU NiSe$_{5}$Ta$_{2}$ 3 16 mC32 AB5C2_mC32_15_e_e2f_f-001 $C2/c$ 15 RT
4N6D NiSi 2 8 oP8 $B_{d}$ AB_oP8_62_c_c-010 $Pnma$ 62 $B_{d}$, η-NiSi
5H38 Ni$_{3}$Si$_{2}$ 2 40 oC80 A3B2_oC80_36_4a4b_2a3b-001 $Cmc2_1$ 36
LJF8 Ni$_{3}$Sn 2 8 hP8 $D0_{19}$ A3B_hP8_194_h_c-001 $P6_3/mmc$ 194 $D0_{19}$
4WTF Ni$_{3}$Sn$_{4}$ 2 7 mC14 $D7_{a}$ A3B4_mC14_12_ai_2i-001 $C2/m$ 12 $D7_{a}$, δ-Ni$_{3}$Sn$_{4}$
AVNP NiTaTe$_{2}$ 3 16 oP16 ABC2_oP16_53_h_e_gh-001 $Pmna$ 53
72A0 Ni$_{3}$Ta$_{2}$Te$_{5}$ 3 40 oP40 A3B2C5_oP40_62_3c_2c_5c-001 $Pnma$ 62
QLCJ NiTh 2 16 oP16 AB_oP16_62_2c_2c-002 $Pnma$ 62
DQFR Ni$_{17}$Th$_{2}$ 2 38 hP38 A17B2_hP38_194_fgjk_bc-001 $P6_3/mmc$ 194
WBFX NiTi 2 4 mP4 AB_mP4_11_e_e-001 $P2_1/m$ 11
AVWT NiTi$_{2}$ 2 24 cF96 AB2_cF96_227_e_cf-001 $Fd\overline{3}m$ 227
7D2A Ni$_{3}$Ti 2 16 hP16 $D0_{24}$ A3B_hP16_194_gh_ac-001 $P6_3/mmc$ 194 $D0_{24}$
5WAR Ni$_{2}$Tm 2 48 cF192 A2B_cF192_216_2e2h_ab2eg-001 $F\overline{4}3m$ 216 LT
X751 Ni$_{2}$Tm 2 24 cP24 A2B_cP24_215_ei_ace-001 $P\overline{4}3m$ 215 700$^{\circ}$C
J821 Ni$_{2}$Y$_{3}$ 2 80 tP80 A2B3_tP80_92_4b_2a5b-001 $P4_12_12$ 92
7BKZ Ni$_{10}$Zr$_{7}$ 2 34 oC68 A10B7_oC68_64_f2g_adef-001 $Cmce$ 64
L3MB Np 1 8 oP8 $A_{c}$ A_oP8_62_2c-001 $Pnma$ 62 $A_{c}$, α-Np
UNPK Np 1 4 tP4 $A_{d}$ A_tP4_129_ac-001 $P4/nmm$ 129 $A_{d}$, β-Np
KTH0 O 1 2 hR2 A_hR2_166_c-003 $R\overline{3}m$ 166 β-O$_{2}$
M3W6 O 1 2 mC4 A_mC4_12_i-001 $C2/m$ 12 α-O$_{2}$
AL94 O$_{24}$Os$_{6.3}$Sr$_{8}$ 3 118 hP118 A36B11C12_hP118_185_4c4d_a2b2c_ab3c-001 $P6_3cm$ 185
4302 O$_{25}$P$_{6}$Pb$_{10}$ 3 44 hP44 A14B3C5_hP44_176_e2hi_h_fh-001 $P6_3/m$ 176 Lead Apatite
VHVW O$_{9}$P$_{2}$SrVZn 5 112 oP112 A9B2CDE_oP112_61_9c_2c_c_c_c-001 $Pbca$ 61
Z0HK O$_{11}$P$_{4}$W$_{4}$ 3 60 mP60 A11B2C2_mP60_4_22a_4a_4a-001 $P2_1$ 4
CWTN OPb 2 4 tP4 $B10$ AB_tP4_129_a_c-001 $P4/nmm$ 129 $B10$, Litharge
TSNN OPb 2 4 oC8 AB_oC8_67_a_g-002 $Cmme$ 67 α-PbO
9BKR O$_{2}$Pb 2 12 oP12 A2B_oP12_60_d_c-003 $Pbcn$ 60
80KE O$_{6}$PbSb$_{2}$ 3 9 hP9 A6BC2_hP9_162_k_a_d-001 $P\overline{3}1m$ 162 Rosiaite
X6VQ O$_{6}$PbV$_{2}$ 3 18 mC36 A6BC2_mC36_12_6i_i_2i-001 $C2/m$ 12 Metastable
XXTA O$_{6}$PbV$_{2}$ 3 36 oP36 A6BC2_oP36_62_6c_c_2c-001 $Pnma$ 62
XHKF O$_{3}$PbZr 3 5 mC10 A3BC_mC10_8_ab_a_a-001 $Cm$ 8 ``PZT''
Z2SB O$_{3}$PbZr 3 5 tP5 A3BC_tP5_99_ac_b_a-002 $P4mm$ 99 ``PZT''
BYND O$_{4}$Pt$_{3}$ 2 7 cI14 A4B3_cI14_229_c_b-001 $Im\overline{3}m$ 229
3DRV O$_{3}$Re 2 4 cP4 $D0_{9}$ A3B_cP4_221_c_b-001 $Pm\overline{3}m$ 221 $D0_{9}$, α-ReO$_{3}$
16XX O$_{13}$Re$_{2}$S$_{2}$ 3 34 oP34 A13B2C2_oP34_32_a6c_c_c-001 $Pba2$ 32
PEKW O$_{10}$Ru$_{3}$Sr$_{4}$ 3 68 oP68 A10B3C4_oP68_55_2e2fgh2i_adef_2e2f-001 $Pbam$ 55 Primitive Orthorhombic
XC67 O$_{10}$Ru$_{3}$Sr$_{4}$ 3 34 oC68 A10B3C4_oC68_64_2dfg_ad_2d-001 $Cmce$ 64 BCO
WCPM O$_{10}$S$_{2}$Sr 3 39 hP39 A10B2C_hP39_171_5c_c_a-001 $P6_2$ 171
XXQ8 O$_{10}$S$_{2}$Sr 3 39 hP39 A10B2C_hP39_172_5c_c_a-001 $P6_4$ 172
3N5K O$_{5}$SV 3 28 oP28 A5BC_oP28_62_3cd_c_c-001 $Pnma$ 62
A73U OS$_{2}$Y$_{2}$ 3 20 mP20 AB2C2_mP20_14_e_2e_2e-001 $P2_1/c$ 14
49UC O$_{2}$Sb 2 24 oP24 A2B_oP24_33_4a_2a-001 $Pna2_1$ 33 Cervantite (α-Sb$_{2}$O$_{4}$)
UGWY O$_{2}$Sb 2 24 cF96 $D6_{2}$ A2B_cF96_227_abf_cd-001 $Fd\overline{3}m$ 227 $D6_{2}$ (Obsolete)
YM7H O$_{2}$Sb 2 12 mC24 A2B_mC24_15_2f_ae-001 $C2/c$ 15 Clinocervantite, β-Sb$_{2}$O$_{4}$
HKUU O$_{3}$Sb$_{2}$ 2 20 oP20 $D5_{11}$ A3B2_oP20_56_ce_e-001 $Pccn$ 56 $D5_{11}$, Valentinite
UHQ6 O$_{3}$Sb$_{2}$ 2 20 cF80 $D6_{1}$ A3B2_cF80_227_f_e-002 $Fd\overline{3}m$ 227 $D6_{1}$, Senarmontite
20MM O$_{4}$Sb$_{2}$Zn 3 28 tP28 A4B2C_tP28_135_gh_h_d-001 $P4_2/mbc$ 135
8DHD O$_{6}$Sb$_{2}$Zn 3 18 tP18 A6B2C_tP18_136_fj_e_a-001 $P4_2/mnm$ 136 Ordoñezite
0J1F O$_{7}$Sc$_{2}$Si$_{2}$ 3 11 mC22 $S2_{1}$ A7B2C2_mC22_12_aij_h_i-001 $C2/m$ 12 $S2_{1}$, Thortveitite
2MYY O$_{2}$Se 2 12 oP12 A2B_oP12_26_abc_ab-002 $Pmc2_1$ 26 β-SeO$_{2}$
PVJF O$_{2}$Se 2 24 oP24 A2B_oP24_26_2a2b2c_2a2b-001 $Pmc2_1$ 26 γ-SeO$_{2}$
YNQK O$_{2}$Se 2 24 tP24 $C47$ A2B_tP24_135_gh_h-001 $P4_2/mbc$ 135 $C47$, Downeyite, α-SeO${2}$
U620 O$_{3}$Se 2 32 tP32 A3B_tP32_114_3e_e-001 $P\overline{4}2_1c$ 114
9ZX1 O$_{6}$Se$_{2}$V 3 72 tP72 A6B2C_tP72_103_abc5d_2d_abc-001 $P4cc$ 103
3KTM O$_{2}$Si 2 12 hP12 $C10$ A2B_hP12_194_cg_f-001 $P6_3/mmc$ 194 $C10$, β-Tridymite
J0BF O$_{2}$Si 2 36 tP36 A2B_tP36_96_3b_ab-001 $P4_32_12$ 96 Keatite
MK0W O$_{2}$Si 2 72 mC144 A2B_mC144_9_24a_12a-001 $Cc$ 9 Low Tridymite
MK1H O$_{2}$Si 2 9 hP9 $C8$ A2B_hP9_180_i_d-001 $P6_222$ 180 $C8$, β-SiO$_{2}$
NDBQ O$_{2}$Si 2 12 oC24 A2B_oC24_20_abc_c-001 $C222_1$ 20 High Tridymite
NT1Y O$_{2}$Si 2 36 cI72 A2B_cI72_211_hi_i-001 $I432$ 211 Theory
P53L O$_{2}$Si 2 9 hP9 A2B_hP9_152_c_a-001 $P3_121$ 152 α-Quartz
QAF3 O$_{2}$Si 2 12 mP12 A2B_mP12_3_ab3e_2e-001 $P2$ 3 Predicted
QDSV O$_{2}$Si 2 6 cF24 $C9$ A2B_cF24_227_c_a-001 $Fd\overline{3}m$ 227 $C9$, β-Cristobalite
QHEE O$_{2}$Si 2 24 mC48 A2B_mC48_15_ae3f_2f-001 $C2/c$ 15 Coesite
VH37 O$_{2}$Si 2 9 hP9 $C8$ A2B_hP9_181_i_d-001 $P6_422$ 181 $C8$
VHRN O$_{2}$Si 2 12 tP12 $C30$ A2B_tP12_92_b_a-001 $P4_12_12$ 92 $C30$ Cristobalite
XNAH O$_{2}$Si 2 36 hP36 A2B_hP36_177_j2lm_n-001 $P622$ 177 Theory
G8V5 O$_{5}$SiY$_{2}$ 3 32 mC64 A5BC2_mC64_15_5f_f_2f-001 $C2/c$ 15 ``X2'' Structure
3RSG O$_{7}$Si$_{2}$Y$_{2}$ 3 22 mP22 A7B2C2_mP22_11_3e2f_2e_ab-001 $P2_1/m$ 11
3TA1 O$_{7}$Si$_{2}$Y$_{2}$ 3 24 mP24 A4BC_mP24_14_4e_e_e-001 $P2_1/c$ 14
Y82X O$_{7}$Si$_{2}$Y$_{2}$ 3 44 oP44 A7B2C2_oP44_62_3c2d_2c_d-001 $Pnma$ 62 Candidate δ-RE$_{2}$Si$_{2}$O$_{7}$
0FQT O$_{4}$SiZr 3 12 tI24 $S1_{1}$ A4BC_tI24_141_h_a_b-001 $I4_1/amd$ 141 $S1_{1}$, Zircon
PDHZ O$_{7}$Sr$_{3}$Ti$_{2}$ 3 12 tI24 A7B3C2_tI24_139_aeg_be_e-001 $I4/mmm$ 139
TJ17 O$_{10}$Sr$_{4}$Ti$_{3}$ 3 17 tI34 A10B4C3_tI34_139_c2eg_2e_ae-001 $I4/mmm$ 139
JM5X O$_{4}$SrU 3 24 oP24 A4BC_oP24_57_cde_d_a-001 $Pbcm$ 57
XVUH O$_{5}$Ta$_{2}$ 2 14 oP14 A5B2_oP14_49_cehq_ab-001 $Pccm$ 49 β-Ta$_{2}$O$_{5}$
4QQ6 O$_{2}$Te 2 12 oP12 A2B_oP12_18_2c_c-001 $P2_12_12$ 18 Erroneous structure
6BKE O$_{2}$Te 2 12 tP12 A2B_tP12_92_b_a-002 $P4_12_12$ 92 Paratellurite
GK2A O$_{2}$Te 2 24 oP24 $C52$ A2B_oP24_61_2c_c-002 $Pbca$ 61 $C52$, Tellurite
06EV O$_{3}$TeTl$_{2}$ 3 48 oP48 A3BC2_oP48_50_3m_m_2m-001 $Pban$ 50 α-Tl$_{2}$TeO$_{3}$
8M4S O$_{3}$TeTl$_{2}$ 3 24 mP24 A3BC2_mP24_14_3e_e_2e-001 $P2_1/c$ 14 β-Tl$_{2}$TeO$_{3}$
3HHF O$_{8}$Te$_{3}$Zr 3 48 cI96 A8B3C_cI96_206_ce_d_a-001 $Ia\overline{3}$ 206
9DMX OTi$_{3}$ 2 24 hP24 AB3_hP24_149_acgi_3l-001 $P312$ 149 RT
1TUW O$_{2}$Ti 2 6 tI12 $C5$ A2B_tI12_141_e_a-001 $I4_1/amd$ 141 $C5$, Anatase
D4ZH O$_{2}$Ti 2 6 tP6 $C4$ A2B_tP6_136_f_a-001 $P4_2/mnm$ 136 $C4$, Rutile
ZJ0C O$_{2}$Ti 2 24 oP24 $C21$ A2B_oP24_61_2c_c-001 $Pbca$ 61 $C21$, Brookite
WVZU OV$_{8}$ 2 18 tP18 AB8_tP18_136_a_2fi-001 $P4_2/mnm$ 136 α'-V$_{8}$O
MHEM O$_{2}$V 2 12 tI24 A2B_tI24_87_2h_h-001 $I4/m$ 87 Metastable at HT
P5YW O$_{2}$V 2 48 tP48 A2B_tP48_130_2g_g-001 $P4/ncc$ 130 Metastable at RT
KZMB O$_{5}$V$_{2}$ 2 14 oP14 A5B2_oP14_59_a2e_e-001 $Pmmn$ 59 Shcherbinaite (Revised)
T4NG O$_{5}$V$_{2}$ 2 14 oP14 $D8_{7}$ A5B2_oP14_31_a2b_b-001 $Pmn2_1$ 31 $D8_{7}$, Scherbinaite (Obsolete)
3J3M O$_{5}$V$_{3}$ 2 32 mP32 A5B3_mP32_13_ef4g_ab2g-001 $P2/c$ 13 RT
C32G O$_{5}$V$_{3}$ 2 16 mC32 A5B3_mC32_15_e2f_af-003 $C2/c$ 15 Oxyvanite
NCQA O$_{16}$V$_{13}$ 2 58 tI116 A16B13_tI116_141_2hi_a2fh-001 $I4_1/amd$ 141
JMLC O$_{7}$V$_{2}$Zn$_{2}$ 3 22 mC44 A7B2C2_mC44_15_e3f_f_f-001 $C2/c$ 15 α-Zn$_{2}$V$_{2}$O$_{7}$
5B3E O$_{3}$W 2 16 oP16 $D0_{10}$ A3B_oP16_57_a2d_d-001 $Pbcm$ 57 $D0_{10}$ (Obsolete)
9JTN O$_{3}$W 2 32 aP32 A3B_aP32_2_12i_4i-001 $P\overline{1}$ 2 δ-WO$_{3}$
HPJW O$_{3}$W 2 16 tP16 A3B_tP16_130_cf_c-001 $P4/ncc$ 130 α-WO$_{3}$
KPH8 O$_{3}$W 2 32 oP32 A3B_oP32_62_ab4c_2c-001 $Pnma$ 62 Original β-WO$_{3}$ (Obsolete)
S00Q O$_{3}$W 2 32 oP32 A3B_oP32_60_3d_d-001 $Pbcn$ 60 β-WO$_{3}$
S4UY O$_{3}$W 2 32 mP32 A3B_mP32_14_6e_2e-001 $P2_1/c$ 14 γ-WO$_{3}$
SQAX O$_{3}$W 2 12 hP12 A3B_hP12_191_gl_f-001 $P6/mmm$ 191 Hexagonal
SUKZ O$_{3}$W 2 16 mP16 A3B_mP16_7_6a_2a-001 $Pc$ 7 ε-WO$_{3}$
TH7F O$_{10}$W$_{3}$ 2 13 oF52 A10B3_oF52_42_2abce_ab-001 $Fmm2$ 42
5CSN O$_{2}$Zr 2 12 mP12 $C43$ A2B_mP12_14_2e_e-001 $P2_1/c$ 14 $C43$, Baddeleyite
T9FR O$_{2}$Zr 2 6 tP6 A2B_tP6_137_d_a-001 $P4_2/nmc$ 137 HT
UZKW O$_{2}$Zr 2 12 oP12 A2B_oP12_29_2a_a-001 $Pca2_1$ 29
7VYH P 1 4 oC8 $A17$ A_oC8_64_f-002 $Cmce$ 64 $A17$, Black Phosphorus
SEQF P 1 84 mP84 A_mP84_13_21g-001 $P2/c$ 13 Hittorf's Phosphorus
YLP3 P 1 24 aP24 A_aP24_2_12i-001 $P\overline{1}$ 2 LT, White Phosphorus
NTUQ P$_{2}$O$_{7}$Zr 3 40 cP40 $K6_{1}$ A7B2C_cP40_205_ad_c_b-001 $Pa\overline{3}$ 205 $K6_{1}$
VTUH PPd$_{6}$ 2 28 mP28 AB6_mP28_14_e_6e-001 $P2_1/c$ 14
Z055 P$_{2}$Pd$_{15}$ 2 17 hR17 A2B15_hR17_148_c_ac2f-001 $R\overline{3}$ 148
35AG P$_{3}$Pd$_{7}$ 2 20 hR20 A3B7_hR20_146_2b_2a4b-001 $R3$ 146
8SJC P$_{12}$PrRu$_{4}$ 3 34 cP34 A12BC4_cP34_195_2j_ab_2e-001 $P23$ 195
B2Y6 PPrS$_{4}$ 3 48 tI96 ABC4_tI96_142_e_ab_2g-001 $I4_1/acd$ 142
YXBN PPt$_{3}$Sr 3 10 tP10 AB3C_tP10_129_c_ce_a-001 $P4/nmm$ 129
QBNS P$_{3}$Rb$_{2}$ 2 10 oF40 A3B2_oF40_69_hm_fg-001 $Fmmm$ 69
3PB1 P$_{4}$Re 2 40 oP40 A4B_oP40_61_4c_c-001 $Pbca$ 61
EXDQ P$_{2}$Rh$_{3}$ 2 5 tP5 A2B3_tP5_115_g_ag-001 $P\overline{4}m2$ 115
71TB P$_{3}$Rh$_{4}$ 2 28 oP28 A3B4_oP28_62_3c_4c-002 $Pnma$ 62
HTHS P$_{4}$Rh$_{6}$Sc 3 11 hP11 A4B6C_hP11_143_ad_2d_b-001 $P3$ 143
DMDS P$_{4}$Se$_{3}$ 2 112 oP112 A4B3_oP112_62_8c4d_4c4d-001 $Pnma$ 62
JF25 P$_{3}$Sn 2 8 hR8 A3B_hR8_166_h_c-001 $R\overline{3}m$ 166
9JBK PTa$_{2}$ 2 36 oP36 AB2_oP36_58_3g_6g-001 $Pnnm$ 58
JM9C P$_{4}$Th$_{3}$ 2 14 cI28 $D7_{3}$ A4B3_cI28_220_c_a-001 $I\overline{4}3d$ 220 $D7_{3}$
ENA6 PTi$_{3}$ 2 32 tP32 AB3_tP32_86_g_3g-001 $P4_2/n$ 86
AHE7 P$_{5}$Tl 2 24 oP24 A5B_oP24_26_3a3b2c_ab-001 $Pmc2_1$ 26
3JHK P$_{2}$U 2 12 tI24 A2B_tI24_107_2abc_2ab-001 $I4mm$ 107
BW3Z P$_{2}$Zn 2 24 mP24 A2B_mP24_14_4e_2e-001 $P2_1/c$ 14 Monoclinic (black) ZnP$_{2}$
WWPP P$_{2}$Zn 2 24 tP24 A2B_tP24_92_2b_b-001 $P4_12_12$ 92 Tetragonal (red) ZnP$_{2}$
68SX P$_{2}$Zn$_{3}$ 2 40 tP40 $D5_{9}$ A2B3_tP40_137_cdf_3g-001 $P4_2/nmc$ 137 $D5_{9}$
YF8N Pa 1 1 tI2 $A_{a}$ A_tI2_139_a-002 $I4/mmm$ 139 $A_{a}$
0BXW Pb$_{4}$Pt 2 10 tP10 $D1_{d}$ A4B_tP10_125_m_a-001 $P4/nbm$ 125 $D1_{d}$
SPK1 PdP$_{2}$ 2 6 mC12 A2B_mC12_15_f_a-001 $C2/c$ 15
9AGN Pd$_{5}$Pu$_{3}$ 2 16 oC32 A5B3_oC32_63_cfg_ce-001 $Cmcm$ 63
KXWJ PdS 2 16 tP16 $B34$ AB_tP16_84_cej_k-001 $P4_2/m$ 84 $B34$
04LT Pd$_{5}$Sb$_{2}$ 2 42 hP42 A5B2_hP42_185_ab4c_abc-001 $P6_3cm$ 185 Stibiopalladinite
WV1J PdSe$_{2}$ 2 12 oP12 AB2_oP12_61_a_c-003 $Pbca$ 61
C2PK Pd$_{4}$Se 2 10 tP10 A4B_tP10_114_e_a-001 $P\overline{4}2_1c$ 114
55EV Pd$_{17}$Se$_{15}$ 2 64 cP64 A17B15_cP64_215_acg2i_f2i-001 $P\overline{4}3m$ 215 $Pm\overline{3}m$, $P\overline{4}3m$
8LH0 Pd$_{17}$Se$_{15}$ 2 64 cP64 A17B15_cP64_207_acfk_eij-001 $P432$ 207 Palladseite, $P432$
RWLL Pd$_{17}$Se$_{15}$ 2 64 cP64 A17B15_cP64_221_acfm_eij-001 $Pm\overline{3}m$ 221 Palladseite, $Pm\overline{3}m$
H8PR PdSe$_{6}$Ta$_{2}$ 3 9 mC18 AB6C2_mC18_12_a_3i_i-004 $C2/m$ 12
BVS7 PdSn$_{2}$ 2 12 oC24 $C_{e}$ AB2_oC24_41_2a_2b-001 $Aea2$ 41 $C_{e}$
FUUU PdSn$_{2}$ 2 24 tI48 AB2_tI48_142_d_ef-001 $I4_1/acd$ 142 α-PdSn$_{2}$
J38S PdSn$_{3}$ 2 16 oC32 AB3_oC32_64_d_fg-001 $Cmce$ 64
LGPW PdSn$_{4}$ 2 10 oC20 AB4_oC20_68_a_i-001 $Ccce$ 68
K8CX Pd$_{5}$Th$_{3}$ 2 8 hP8 A5B3_hP8_189_cf_g-001 $P\overline{6}2m$ 189
FECP Po 1 6 mC12 $A19$ A_mC12_5_3c-001 $C2$ 5 $A19$ (Obsolete)
NG7Y Po 1 1 cP1 $A_{h}$ A_cP1_221_a-001 $Pm\overline{3}m$ 221 $A_{h}$, α-Po, simple cubic lattice
RUSN Po 1 1 hR1 $A_{i}$ A_hR1_166_a-001 $R\overline{3}m$ 166 $A_i$, β-Po
8GEP PtS 2 4 tP4 $B17$ AB_tP4_131_c_e-001 $P4_2/mmc$ 131 $B17$, Cooperite
1FWE Pt$_{5}$Se$_{4}$ 2 18 mP18 A5B4_mP18_14_a2e_2e-001 $P2_1/c$ 14 Luberoite
H63U Pt$_{6}$Si$_{5}$ 2 22 mP22 A6B5_mP22_11_6e_5e-001 $P2_1/m$ 11
MALE PtSn$_{4}$ 2 10 oC20 $D1_{c}$ AB4_oC20_41_a_2b-001 $Aea2$ 41 $D1_{c}$
Y79W Pt$_{2}$Sn$_{3}$ 2 10 hP10 $D5_{b}$ A2B3_hP10_194_f_bf-001 $P6_3/mmc$ 194 $D5_{b}$
XTZU Pt$_{8}$Ti 2 9 tI18 A8B_tI18_139_hi_a-001 $I4/mmm$ 139
V17U Pt$_{3}$Zn$_{10}$ 2 98 cF392 A2B5_cF392_216_4efg_4ef4h-001 $F\overline{4}3m$ 216
2MX7 Pu 1 16 mP16 A_mP16_11_8e-001 $P2_1/m$ 11 α-Pu
7VYN Pu 1 2 oF8 A_oF8_70_a-001 $Fddd$ 70 γ-Pu
VV4N Pu 1 17 mC34 A_mC34_12_ah3i2j-001 $C2/m$ 12 β-Pu
TBHL Pu$_{31}$Rh$_{20}$ 2 102 tI204 A31B20_tI204_140_b2gh3m_ac2fh3l-001 $I4/mcm$ 140
PLRV RbPaF$_{6}$ 3 16 oC32 A6BC_oC32_67_no_c_g-001 $Cmme$ 67 RbPaF$_{6}$ (V)
1RMB RbSe$_{2}$V 3 16 oF64 AB2C_oF64_70_e_h_ab-001 $Fddd$ 70
9FBX ReSi$_{2}$ 2 3 oI6 AB2_oI6_71_a_e-002 $Immm$ 71
RKF7 Re$_{2}$U 2 12 oC24 A2B_oC24_63_acg_f-001 $Cmcm$ 63
1BVC Re$_{25}$Zr$_{21}$ 2 92 hR92 A25B21_hR92_167_b2e3f_e3f-001 $R\overline{3}c$ 167
WEMD Rh$_{2}$O$_{3}$ 2 20 oP20 A2B3_oP20_60_d_cd-001 $Pbcn$ 60
NS5K Rh$_{3}$ScSi$_{7}$ 3 22 hR22 A3BC7_hR22_167_e_b_af-001 $R\overline{3}c$ 167
L6DT Rh$_{20}$Si$_{13}$ 2 34 hP34 A10B7_hP34_176_c3h_b2h-001 $P6_3/m$ 176
GYST Rh$_{4}$Sn$_{13}$Yb$_{3}$ 3 40 cP40 A4B13C3_cP40_223_e_ak_c-001 $Pm\overline{3}n$ 223
1M54 RhTa 2 12 oP12 AB_oP12_51_ei_fj-001 $Pmma$ 51
RJFD Ru$_{2}$Sn$_{3}$ 2 20 tP20 A2B3_tP20_116_adi_ej-001 $P\overline{4}c2$ 116
6TPG RuU$_{2}$ 2 6 mC12 AB2_mC12_12_i_aci-001 $C2/m$ 12
7TXG S 1 24 oP24 A_oP24_58_eg2h-001 $Pnnm$ 58 S$_{12}$ Sulfur
AYZW S 1 64 mP64 A_mP64_14_16e-002 $P2_1/c$ 14 β-monoclinic Sulfur
GAZQ S 1 9 hP9 A_hP9_154_ac-001 $P3_221$ 154 S-II (HP,HT)
GC8R S 1 8 tI16 A_tI16_142_f-001 $I4_1/acd$ 142 S-III (HP)
MYP4 S 1 32 oF128 $A16$ A_oF128_70_4h-001 $Fddd$ 70 $A16$, α-S
XW0B S 1 6 hR6 A_hR6_148_f-001 $R\overline{3}$ 148 ρ-S
Y7J6 S 1 32 mP32 A_mP32_13_8g-001 $P2/c$ 13 Rosickýite
1WMN S$_{3}$Sb$_{5}$ 2 20 oP20 $D5_{8}$ A3B2_oP20_62_3c_2c-001 $Pnma$ 62 $D5_{8}$, Stibnite
HQ18 S$_{3}$Sc$_{2}$ 2 20 oF80 A3B2_oF80_70_fh_2e-001 $Fddd$ 70
PYBC S$_{2}$Si 2 6 oI12 $C42$ A2B_oI12_72_j_a-001 $Ibam$ 72 $C42$
8MTK SSn 2 4 oC8 AB_oC8_63_c_c-004 $Cmcm$ 63 β-SnS
QZKW SSn 2 8 oP8 $B29$ AB_oP8_62_c_c-004 $Pnma$ 62 $B29$, α-SnS
1ZQE S$_{3}$Sn$_{2}$ 2 20 oP20 A3B2_oP20_62_3c_2c-003 $Pnma$ 62 Ottemannite
DG69 S$_{2}$SnTa 3 8 hP8 A2BC_hP8_194_e_a_c-001 $P6_3/mmc$ 194
4L1U STa$_{2}$ 2 36 oP36 AB2_oP36_57_ce_2d2e-001 $Pbcm$ 57
HXME STa$_{6}$ 2 28 mC56 AB6_mC56_15_f_6f-001 $C2/c$ 15
4YG0 S$_{2}$Ta$_{3}$ 2 20 oC40 A2B3_oC40_39_2d_2c2d-001 $Aem2$ 39
X9DF S$_{12}$Th$_{7}$ 2 20 hP20 $D8_{k}$ A3B2_hP20_176_2h_ah-001 $P6_3/m$ 176 $D8_{k}$
J6WY STl 2 128 mC256 AB_mC256_5_2a2b30c_32c-001 $C2$ 5 Monoclinic TlS (HT)
X71C STl 2 64 tP64 AB_tP64_92_2a3b_4b-001 $P4_12_12$ 92 Tetragonal TlS (IT)
X2PG STl$_{2}$ 2 27 hR27 AB2_hR27_146_3a2b_6b-001 $R3$ 146 Carlinite
6ZEC S$_{3}$Tl$_{4}$ 2 28 mP28 A3B4_mP28_14_3e_4e-001 $P2_1/c$ 14
Y0MN S$_{4}$Tl$_{3}$V 3 8 cI16 A4B3C_cI16_217_c_b_a-001 $I\overline{4}3m$ 217
62DR S$_{3}$U$_{4}$ 2 7 cP7 A3B4_cP7_221_d_ac-001 $Pm\overline{3}m$ 221
2PY4 SV$_{3}$ 2 32 tP32 AB3_tP32_133_h_i2j-001 $P4_2/nbc$ 133 β-V$_{3}$S (LT)
QHX2 SV$_{3}$ 2 16 tI32 AB3_tI32_121_f_g2i-001 $I\overline{4}2m$ 121 α-V$_{3}$S (HT)
6M9R S$_{4}$V 2 20 mC40 A4B_mC40_15_4f_f-001 $C2/c$ 15
ZQW6 S$_{8}$V$_{5}$ 2 13 mC26 A8B5_mC26_12_2ij_ahi-001 $C2/m$ 12
G5Z0 S$_{7}$Y$_{5}$ 2 12 mC24 A7B5_mC24_12_a3i_c2i-001 $C2/m$ 12
6CGK SZn 2 4 hP4 $B4$ AB_hP4_186_b_b-001 $P6_3mc$ 186 $B4$, Wurtzite
TL8Z SZn 2 2 cF8 $B3$ AB_cF8_216_a_c-001 $F\overline{4}3m$ 216 $B3$, Zincblende
VENL Sb$_{2}$SiV$_{4}$ 3 14 tI28 A2BC4_tI28_140_h_a_k-001 $I4/mcm$ 140
370K Sb$_{2}$Sm 2 12 oC24 A2B_oC24_64_ef_f-001 $Cmce$ 64
KM4R Sb$_{2}$Tl$_{7}$ 2 27 cI54 $L2_{2}$ A2B7_cI54_229_e_afh-001 $Im\overline{3}m$ 229 $L2_{2}$
T892 Sb$_{2}$TlZn$_{2}$ 3 10 tI20 A2BC2_tI20_79_c_2a_c-001 $I4$ 79
Z993 Sc 1 6 hP6 A_hP6_178_a-001 $P6_122$ 178 Sc-V (HP)
QMXV Se 1 32 mP32 $A_{l}$ A_mP32_14_8e-001 $P2_1/c$ 14 $A_{l}$, β-Se
SM1V Se 1 3 hP3 $A8$ A_hP3_152_a-001 $P3_121$ 152 $A8$, γ-Se
TBFR Se 1 64 mP64 $A_{k}$ A_mP64_14_16e-001 $P2_1/c$ 14 $A_{k}$, α-Se
VEFR Se 1 32 mP32 A_mP32_14_8e-002 $P2_1/c$ 14 α-monoclinic Selenium
BFE0 SeTl 2 8 tI16 $B37$ AB_tI16_140_ab_h-001 $I4/mcm$ 140 $B37$
54KB Se$_{3}$Zr 2 8 mP8 A3B_mP8_11_3e_e-001 $P2_1/m$ 11
83MZ Si 1 8 cI16 A_cI16_206_c-001 $Ia\overline{3}$ 206 BC8 Si
U115 Si 1 34 cF136 A_cF136_227_aeg-001 $Fd\overline{3}m$ 227 Clathrate
VFEB Si 1 46 cP46 A_cP46_223_cik-001 $Pm\overline{3}n$ 223 Clathrate
YUU3 Si 1 12 tP12 A_tP12_96_ab-001 $P4_32_12$ 96 ST12 Si
ZSDQ Si 1 2 tI4 A_tI4_139_e-001 $I4/mmm$ 139 BCT5 Si
TPXT Si$_{24}$ 1 12 oC24 A_oC24_63_3f-001 $Cmcm$ 63 Clathrate
NYRK SiC 2 12 hP12 $B6$ AB_hP12_186_a2b_a2b-001 $P6_3mc$ 186 $B6$, 6H-Moissanite
XX75 Si$_{2}$Sr 2 12 cP12 A2B_cP12_212_c_a-001 $P4_332$ 212
BY2X Si$_{3}$Sr$_{5}$ 2 16 tI32 A3B5_tI32_108_ac_a2c-001 $I4cm$ 108 (Obsolete)
UXGR SiTa$_{4}$Te$_{4}$ 3 36 oP36 AB4C4_oP36_55_e_2g2h_2g2h-001 $Pbam$ 55
MVBJ Si$_{2}$Te$_{3}$ 2 40 hP40 A7B3_hP40_163_e2i_i-001 $P\overline{3}1c$ 163
KN7L Si$_{2}$Ti 2 6 oF24 $C54$ A2B_oF24_70_e_a-001 $Fddd$ 70 $C54$
6CWC SiU$_{3}$ 2 8 tI16 $D0_{c}$ AB3_tI16_140_b_ah-001 $I4/mcm$ 140 $D0_{c}$, α-SiU$_{3}$
6QGS Si$_{2}$U$_{3}$ 2 10 tP10 $D5_{a}$ A2B3_tP10_127_g_ah-001 $P4/mbm$ 127 $D5_{a}$
4K4U Si$_{3}$W$_{5}$ 2 16 tI32 $D8_{m}$ A3B5_tI32_140_ah_bk-001 $I4/mcm$ 140 $D8_{m}$
HPCM Si$_{2}$Zr 2 6 oC12 $C49$ A2B_oC12_63_2c_c-001 $Cmcm$ 63 $C49$
C3GS Si$_{4}$Zr$_{5}$ 2 36 tP36 A4B5_tP36_92_2b_a2b-001 $P4_12_12$ 92
MPB6 Sm 1 3 hR3 $C19$ A_hR3_166_ac-001 $R\overline{3}m$ 166 $C19$, α-Sm
2BUF Sn 1 2 tI4 $A5$ A_tI4_141_a-001 $I4_1/amd$ 141 $A5$, β-Sn
2ATW Sn$_{7}$Tb$_{3}$ 2 14 oC28 A11B3_oC28_65_c4gh_ah-001 $Cmmm$ 65
09JW Sn$_{5}$Ti$_{6}$ 2 22 hP22 A5B6_hP22_194_ach_gh-001 $P6_3/mmc$ 194 Hexagonal
BRA8 SrZn$_{5}$ 2 24 oP24 AB5_oP24_62_c_3cd-001 $Pnma$ 62
7BEE Ta$_{21}$Te$_{13}$ 2 136 hP136 A21B13_hP136_183_abc3d6e2f_2ab3d5e-001 $P6mm$ 183 Approx. quasicrystal
BQ6Y TaTi 2 16 aP16 AB_aP16_2_4i_4i-001 $P\overline{1}$ 2 BCC SQS-16
P5PQ TaTi$_{3}$ 2 16 mC32 AB3_mC32_8_4a_4a4b-001 $Cm$ 8 BCC SQS-16
QVN8 TaTi$_{3}$ 2 16 mC32 AB3_mC32_8_4a_12a-001 $Cm$ 8 BCC SQS-16
56NK TaTi$_{7}$ 2 16 hR16 AB7_hR16_166_c_c2h-001 $R\overline{3}m$ 166 BCC SQS-16
0NF7 Ta$_{3}$Ti$_{5}$ 2 16 oC32 A3B5_oC32_38_abcd_abcef-001 $Amm2$ 38 BCC SQS-16
A2U8 Ta$_{3}$Ti$_{13}$ 2 16 oC32 A3B13_oC32_38_ac_a2bcdef-001 $Amm2$ 38 BCC SQS-16
EUM5 Ta$_{5}$Ti$_{11}$ 2 16 mP16 A5B11_mP16_6_2abc_2a3b3c-001 $Pm$ 6 BCC SQS-16
H0F1 Te 1 4 mP4 A_mP4_4_2a-001 $P2_1$ 4 4-7 GPa
E7DL Te$_{4}$Ti$_{5}$ 2 9 tI18 A4B5_tI18_87_h_ah-001 $I4/m$ 87
7HXW Te$_{2}$U 2 6 oI12 A2B_oI12_71_eh_f-001 $Immm$ 71
ZLWB Te$_{2}$W 2 12 oP12 A2B_oP12_31_4a_2a-001 $Pmn2_1$ 31
LX4R TeZn 2 6 hP6 AB_hP6_144_a_a-001 $P3_1$ 144 HP
EE51 Te$_{5}$Zr 2 12 oC24 A5B_oC24_63_c2f_c-001 $Cmcm$ 63
NF8F ThSi$_{2}$ 2 6 tI12 $C_{c}$ A2B_tI12_141_e_a-002 $I4_1/amd$ 141 $C_{c}$
PZ2T Th$_{2}$Zn$_{17}$ 2 19 hR19 A2B17_hR19_166_c_cdfh-001 $R\overline{3}m$ 166
5T44 U 1 30 tP30 $A_{b}$ A_tP30_136_af2ij-001 $P4_2/mnm$ 136 $A_{b}$, β-U
AFG5 U 1 2 oC4 $A20$ A_oC4_63_c-001 $Cmcm$ 63 $A20$, α-U
84H6 V$_{4}$Zn$_{5}$ 2 9 tI18 A4B5_tI18_139_i_ah-001 $I4/mmm$ 139
7W8F W 1 1 cI2 $A2$ A_cI2_229_a-001 $Im\overline{3}m$ 229 $A2$, bcc lattice
MX6R Zn$_{22}$Zr 2 46 cF184 A22B_cF184_227_cdfg_a-001 $Fd\overline{3}m$ 227