Formula Sr2Pt8As12
Reduced formula SrPt4As6
Stoichiometry AB4C6
Number of species 3
Number of atoms 22
Unique ID 16
Unit cell volume [Å3] 447.826
Direct bandgap GLLB-SC. [eV] 0.434
Indirect bandgap GLLB-SC. [eV] 0.288
Derivative discontinuity GLLB-SC. [eV] 0.082
ID of materials in Materials project 14500
ID of materials in ICSD 62518
Energy [eV] -112.416
Total magnetic moment [μB] 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.073 0.000 0.000 Yes
2 0.196 6.069 0.000 Yes
3 0.143 0.138 12.150 Yes
Lengths [Å] 6.073 6.073 12.152
Angles [°] 89.326 89.326 88.150
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web