Formula Ba2Hf2Sn2Zr2O12
Reduced formula BaHfSnZrO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 15
Unit cell volume [Å3] 304.657
Direct bandgap GLLB-SC [eV] 5.204
Indirect bandgap GLLB-SC [eV] 5.129
Derivative discontinuity GLLB-SC [eV] 1.494
double ruddlesden-popper or dion-jacobsen double
Composition BaHfSnZr-ox
Energy [eV] -161.766
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.239 4.239 0.000 Yes
2 -4.239 4.239 0.000 Yes
3 0.000 0.000 8.478 Yes
Lengths [Å] 5.995 5.995 8.478
Angles [°] 90.000 90.000 90.000
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