| 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 |