Formula SnTiO3
Reduced formula SnTiO3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 16
Unit cell volume [Å3] 62.530
Name of the structure SnTiO3
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 2.393
Indirect bandgap GLLB-SC [eV] 2.177
Derivative discontinuity GLLB-SC [eV] 0.424
Calculated efficiency (thickness 1 nm) [eV] 0.044
Calculated efficiency (infinite thickness) [eV] 0.112
Energy [eV] -38.659
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.969 0.000 0.000 Yes
2 0.000 3.969 0.000 Yes
3 0.000 0.000 3.969 Yes
Lengths [Å] 3.969 3.969 3.969
Angles [°] 90.000 90.000 90.000
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