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+ | <refnotes> | ||
+ | note-render : harvard | ||
+ | note-id-format : none | ||
+ | </refnotes> | ||
+ | |||
Citation: A RESTful API for exchanging materials data in the AFLOWLIB.org consortium. | Citation: A RESTful API for exchanging materials data in the AFLOWLIB.org consortium. | ||
//Computational Materials Science//, Volume **93**, October 2014, Pages 178-192. | //Computational Materials Science//, Volume **93**, October 2014, Pages 178-192. | ||
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//Request syntax//: ''$aurl/?eentropy_atom'' | //Request syntax//: ''$aurl/?eentropy_atom'' | ||
- | ==== Efermi ==== | ||
- | |||
- | * ''Efermi'' | ||
- | |||
- | //Description//: Fermi energy of the system. | ||
- | |||
- | //Type//: ''number'' | ||
- | |||
- | //Units//: eV | ||
- | |||
- | //Example//: ''Efermi=-4.5'' | ||
- | |||
- | //Request syntax//: ''$aurl/?Efermi'' | ||
==== Egap ==== | ==== Egap ==== | ||
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* ''scintillation_attenuation_length'' | * ''scintillation_attenuation_length'' | ||
- | //Description//: Returns the scintillation attenuation length of the compound in cm[(ref:aflowlib:aflowSCINT)][(ref:aflowlib:curtarolo:art46)]. | + | //Description//: Returns the scintillation attenuation length of the compound in cm[(ref:aflowlib:aflowSCINT)][(ref:aflowlib:curtarolo_art46)]. |
//Type//: ''real number'' | //Type//: ''real number'' | ||
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//Request syntax//: ''$aurl/?scintillation_attenuation_length'' | //Request syntax//: ''$aurl/?scintillation_attenuation_length'' | ||
- | ==== sg (sg2) ==== | + | ==== sg ==== |
+ | ==== sg2 ==== | ||
* ''sg (sg2)'' | * ''sg (sg2)'' | ||
- | //Description//: Evolution of the space group of the compound. The first, second and third string represent | + | //Description//: Evolution of the space group of the compound[(ref:aflowlib:tables_crystallography_A)][(ref:aflowlib:bilbao)]. The first, second and third string represent |
space group name/number before the first, after the first, and after the last relaxation of the calculation. | space group name/number before the first, after the first, and after the last relaxation of the calculation. | ||
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* ''spacegroup_orig'' | * ''spacegroup_orig'' | ||
- | //Description//: Returns the spacegroup number of the original-unrelaxed structure before the | + | //Description//: Returns the spacegroup number[(ref:aflowlib:tables_crystallography_A)] of the original-unrelaxed structure before the |
calculation. | calculation. | ||
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* ''spacegroup_relax'' | * ''spacegroup_relax'' | ||
- | //Description//: Returns the spacegroup number of the relaxed structure after the | + | //Description//: Returns the spacegroup number[(ref:aflowlib:tables_crystallography_A)] of the relaxed structure after the |
calculation. | calculation. | ||
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* ''valence_cell_std'' | * ''valence_cell_std'' | ||
- | //Description//: Returns standard valence. | + | //Description//: Returns standard valence[(ref:aflowlib:iupac_gold)]. |
//Type//: ''number'' | //Type//: ''number'' | ||
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//Description//: Returns IUPAC valence, the maximum number of univalent atoms that may | //Description//: Returns IUPAC valence, the maximum number of univalent atoms that may | ||
- | combine with the atoms. | + | combine with the atoms[(ref:aflowlib:iupac_gold)]. |
//Type//: ''number'' | //Type//: ''number'' | ||
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//Request syntax//: ''$aurl/?volume_atom'' | //Request syntax//: ''$aurl/?volume_atom'' | ||
+ | |||
+ | |||
+ |