Formula LiVO3
Reduced formula LiVO3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 12
Unit cell volume [Å3] 55.296
Name of the structure LiVO3
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 2.153
Indirect bandgap GLLB-SC [eV] 1.490
Derivative discontinuity GLLB-SC [eV] 0.477
Calculated efficiency (thickness 1 nm) [eV] 0.140
Calculated efficiency (infinite thickness) [eV] 0.165
Energy [eV] -36.103
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.810 0.000 0.000 Yes
2 0.000 3.810 0.000 Yes
3 0.000 0.000 3.810 Yes
Lengths [Å] 3.810 3.810 3.810
Angles [°] 90.000 90.000 90.000
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