Formula NWZnO2
Reduced formula NWZnO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 12
Unit cell volume [Å3] 62.296
A-ion in the cubic perovskite Zn
B-ion in the cubic perovskite W
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 0.520
General formula ABO2N
Direct position of the conduction band edge 6.045
Indirect position of the conduction band edge 6.045
Direct position of the valence band edge 6.045
Indirect position of the valence band edge 6.045
Standard energy -2.580
Energy [eV] -31.958
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.964 0.000 0.000 Yes
2 0.000 3.964 0.000 Yes
3 0.000 0.000 3.964 Yes
Lengths [Å] 3.964 3.964 3.964
Angles [°] 90.000 90.000 90.000