Formula Ge4Pt4Se4
Reduced formula GePtSe
Stoichiometry ABC
Number of species 3
Number of atoms 12
Unique ID 23
Unit cell volume [Å3] 228.452
Direct bandgap GLLB-SC. [eV] 1.062
Indirect bandgap GLLB-SC. [eV] 0.550
Derivative discontinuity GLLB-SC. [eV] 0.139
ID of materials in Materials project 20817
ID of materials in ICSD 822
Energy [eV] -57.339
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.077 0.000 0.000 Yes
2 0.000 6.107 0.000 Yes
3 0.000 0.000 6.156 Yes
Lengths [Å] 6.077 6.107 6.156
Angles [°] 90.000 90.000 90.000
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