Formula BiCuNO2
Reduced formula BiCuNO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 7
Unit cell volume [Å3] 60.684
A-ion in the cubic perovskite Bi
B-ion in the cubic perovskite Cu
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.200
General formula ABO2N
Direct position of the conduction band edge 5.971
Indirect position of the conduction band edge 5.971
Direct position of the valence band edge 5.971
Indirect position of the valence band edge 5.971
Standard energy 1.128
Energy [eV] -23.533
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.930 0.000 0.000 Yes
2 0.000 3.930 0.000 Yes
3 0.000 0.000 3.930 Yes
Lengths [Å] 3.930 3.930 3.930
Angles [°] 90.000 90.000 90.000