Formula HfNSrO2
Reduced formula HfNSrO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 25
Unit cell volume [Å3] 73.837
A-ion in the cubic perovskite Sr
B-ion in the cubic perovskite Hf
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 0.240
General formula ABO2N
Direct position of the conduction band edge 4.895
Indirect position of the conduction band edge 4.895
Direct position of the valence band edge 4.895
Indirect position of the valence band edge 4.895
Standard energy -10.617
Energy [eV] -36.956
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.195 0.000 0.000 Yes
2 0.000 4.195 0.000 Yes
3 0.000 0.000 4.195 Yes
Lengths [Å] 4.195 4.195 4.195
Angles [°] 90.000 90.000 90.000