Formula | BaFInO2 |
Reduced formula | BaFInO2 |
Stoichiometry | ABCD2 |
Number of species | 4 |
Number of atoms | 5 |
Unique ID | 5 |
Unit cell volume [Å3] | 83.704 |
Name of the structure | BaInO2F |
Perovskite phase | cubic |
Direct bandgap GLLB-SC [eV] | 2.976 |
Indirect bandgap GLLB-SC [eV] | 2.406 |
Derivative discontinuity GLLB-SC [eV] | 0.652 |
Calculated efficiency (thickness 1 nm) [eV] | 0.012 |
Calculated efficiency (infinite thickness) [eV] | 0.028 |
Energy [eV] | -28.996 |
Total magnetic moment [μB] | 0.000 |