Formula BiMgNO2
Reduced formula BiMgNO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 8
Unit cell volume [Å3] 68.019
A-ion in the cubic perovskite Bi
B-ion in the cubic perovskite Mg
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.020
General formula ABO2N
Direct position of the conduction band edge 5.762
Indirect position of the conduction band edge 5.762
Direct position of the valence band edge 5.762
Indirect position of the valence band edge 5.762
Standard energy -1.667
Energy [eV] -24.431
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.082 0.000 0.000 Yes
2 0.000 4.082 0.000 Yes
3 0.000 0.000 4.082 Yes
Lengths [Å] 4.082 4.082 4.082
Angles [°] 90.000 90.000 90.000