Formula BaSnO3
Reduced formula BaSnO3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 7
Unit cell volume [Å3] 74.568
Name of the structure BaSnO3
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 2.416
Indirect bandgap GLLB-SC [eV] 2.140
Derivative discontinuity GLLB-SC [eV] 0.590
Calculated efficiency (thickness 1 nm) [eV] 0.052
Calculated efficiency (infinite thickness) [eV] 0.107
Energy [eV] -32.843
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.209 0.000 0.000 Yes
2 0.000 4.209 0.000 Yes
3 0.000 0.000 4.209 Yes
Lengths [Å] 4.209 4.209 4.209
Angles [°] 90.000 90.000 90.000
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