Formula Ba2Hf2K2Sb2O12
Reduced formula BaHfKSbO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 23
Unit cell volume [Å3] 288.112
Direct bandgap GLLB-SC [eV] 5.320
Indirect bandgap GLLB-SC [eV] 5.320
Derivative discontinuity GLLB-SC [eV] 1.344
double ruddlesden-popper or dion-jacobsen double
Composition BaHfKSb-ox
Energy [eV] -143.958
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.161 4.161 0.000 Yes
2 -4.161 4.161 0.000 Yes
3 0.000 0.000 8.321 Yes
Lengths [Å] 5.884 5.884 8.321
Angles [°] 90.000 90.000 90.000
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