Formula |
AsNNiO2 |
Reduced formula |
AsNNiO2 |
Stoichiometry |
ABCD2 |
Number of species |
4 |
Number of atoms |
5 |
Unique ID |
16 |
Unit cell volume [Å3] |
52.561 |
A-ion in the cubic perovskite |
As |
B-ion in the cubic perovskite |
Ni |
Anion combination in the perovskite |
O2N |
Direct bandgap GLLB-SC [eV] |
0.000 |
Indirect bandgap GLLB-SC [eV] |
0.000 |
Heat of formation [eV] |
1.180 |
General formula |
ABO2N |
Direct position of the conduction band edge |
6.260 |
Indirect position of the conduction band edge |
6.260 |
Direct position of the valence band edge |
6.260 |
Indirect position of the valence band edge |
6.260 |
Standard energy |
0.987 |
Energy [eV] |
-27.940 |