Formula BaFGaO2
Reduced formula BaFGaO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 2
Unit cell volume [Å3] 70.293
Name of the structure BaGaO2F
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 3.083
Indirect bandgap GLLB-SC [eV] 2.707
Derivative discontinuity GLLB-SC [eV] 1.195
Calculated efficiency (thickness 1 nm) [eV] 0.009
Calculated efficiency (infinite thickness) [eV] 0.021
Energy [eV] -30.288
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.127 0.000 0.000 Yes
2 0.000 4.127 0.000 Yes
3 0.000 0.000 4.127 Yes
Lengths [Å] 4.127 4.127 4.127
Angles [°] 90.000 90.000 90.000
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