Formula CsNbO3
Reduced formula CsNbO3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 3
Unit cell volume [Å3] 75.150
Name of the structure CsNbO3
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 2.755
Indirect bandgap GLLB-SC [eV] 2.734
Derivative discontinuity GLLB-SC [eV] 0.533
Calculated efficiency (thickness 1 nm) [eV] 0.027
Calculated efficiency (infinite thickness) [eV] 0.050
Energy [eV] -37.220
Total magnetic moment [μB] 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.220 0.000 0.000 Yes
2 0.000 4.220 0.000 Yes
3 0.000 0.000 4.220 Yes
Lengths [Å] 4.220 4.220 4.220
Angles [°] 90.000 90.000 90.000