Formula Ca2Ge2Pb2Zr2O12
Reduced formula CaGePbZrO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 11
Unit cell volume [Å3] 262.960
Direct bandgap GLLB-SC [eV] 6.282
Indirect bandgap GLLB-SC [eV] 6.261
Derivative discontinuity GLLB-SC [eV] 1.646
double ruddlesden-popper or dion-jacobsen double
Composition PbZrCaGe-ox
Energy [eV] -145.870
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.036 4.036 0.000 Yes
2 -4.036 4.036 0.000 Yes
3 0.000 0.000 8.072 Yes
Lengths [Å] 5.708 5.708 8.072
Angles [°] 90.000 90.000 90.000
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