Formula CsHfNO2
Reduced formula CsHfNO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 17
Unit cell volume [Å3] 82.590
A-ion in the cubic perovskite Cs
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] 0.720
General formula ABO2N
Direct position of the conduction band edge 4.985
Indirect position of the conduction band edge 4.985
Direct position of the valence band edge 4.985
Indirect position of the valence band edge 4.985
Standard energy -6.432
Energy [eV] -32.042
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.355 0.000 0.000 Yes
2 0.000 4.355 0.000 Yes
3 0.000 0.000 4.355 Yes
Lengths [Å] 4.355 4.355 4.355
Angles [°] 90.000 90.000 90.000
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