| Formula | HfNZrO2 |
| Reduced formula | HfNZrO2 |
| Stoichiometry | ABCD2 |
| Number of species | 4 |
| Number of atoms | 5 |
| Unique ID | 22 |
| Unit cell volume [Å3] | 71.807 |
| A-ion in the cubic perovskite | Zr |
| 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] | 0.540 |
| General formula | ABO2N |
| Direct position of the conduction band edge | 5.518 |
| Indirect position of the conduction band edge | 5.518 |
| Direct position of the valence band edge | 5.518 |
| Indirect position of the valence band edge | 5.518 |
| Standard energy | -10.325 |
| Energy [eV] | -42.138 |