Formula Au2Ca2P2
Reduced formula AuCaP
Stoichiometry ABC
Number of species 3
Number of atoms 6
Unique ID 18
Unit cell volume [Å3] 127.948
Direct bandgap GLLB-SC. [eV] 0.303
Indirect bandgap GLLB-SC. [eV] 0.303
Derivative discontinuity GLLB-SC. [eV] 0.087
ID of materials in Materials project 10677
ID of materials in ICSD 52661
Energy [eV] -23.836
Total magnetic moment [μB] -0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.301 0.000 0.000 Yes
2 -2.150 3.724 0.000 Yes
3 0.000 0.000 7.988 Yes
Lengths [Å] 4.301 4.301 7.988
Angles [°] 90.000 90.000 120.000
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