Formula Ba2Ca2Ge2Hf2O12
Reduced formula BaCaGeHfO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 7
Unit cell volume [Å3] 266.988
Direct bandgap GLLB-SC [eV] 6.350
Indirect bandgap GLLB-SC [eV] 6.350
Derivative discontinuity GLLB-SC [eV] 1.510
double ruddlesden-popper or dion-jacobsen double
Composition BaHfCaGe-ox
Energy [eV] -151.044
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.056 4.056 0.000 Yes
2 -4.056 4.056 0.000 Yes
3 0.000 0.000 8.113 Yes
Lengths [Å] 5.737 5.737 8.113
Angles [°] 90.000 90.000 90.000
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