| Formula | MgNPdO2 |
| Reduced formula | MgNPdO2 |
| Stoichiometry | ABCD2 |
| Number of species | 4 |
| Number of atoms | 5 |
| Unique ID | 20 |
| Unit cell volume [Å3] | 61.001 |
| A-ion in the cubic perovskite | Pd |
| B-ion in the cubic perovskite | Mg |
| Anion combination in the perovskite | O2N |
| Direct bandgap GLLB-SC [eV] | 0.000 |
| Indirect bandgap GLLB-SC [eV] | 0.000 |
| Heat of formation [eV] | 1.960 |
| General formula | ABO2N |
| Direct position of the conduction band edge | 5.855 |
| Indirect position of the conduction band edge | 5.855 |
| Direct position of the valence band edge | 5.855 |
| Indirect position of the valence band edge | 5.855 |
| Standard energy | 3.021 |
| Energy [eV] | -19.196 |