Formula Ba2K2Nb2Sn2O12
Reduced formula BaKNbSnO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 4
Unit cell volume [Å3] 293.131
Direct bandgap GLLB-SC [eV] 4.762
Indirect bandgap GLLB-SC [eV] 4.750
Derivative discontinuity GLLB-SC [eV] 1.038
double ruddlesden-popper or dion-jacobsen double
Composition KNbBaSn-ox
Energy [eV] -142.056
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.185 4.185 0.000 Yes
2 -4.185 4.185 0.000 Yes
3 0.000 0.000 8.369 Yes
Lengths [Å] 5.918 5.918 8.369
Angles [°] 90.000 90.000 90.000
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