Formula NOsYO2
Reduced formula NOsYO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 23
Unit cell volume [Å3] 62.170
A-ion in the cubic perovskite Y
B-ion in the cubic perovskite Os
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.100
General formula ABO2N
Direct position of the conduction band edge 5.776
Indirect position of the conduction band edge 5.776
Direct position of the valence band edge 5.776
Indirect position of the valence band edge 5.776
Standard energy -4.440
Energy [eV] -36.966
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.962 0.000 0.000 Yes
2 0.000 3.962 0.000 Yes
3 0.000 0.000 3.962 Yes
Lengths [Å] 3.962 3.962 3.962
Angles [°] 90.000 90.000 90.000