| Formula | MgNTaO2 |
| Reduced formula | MgNTaO2 |
| Stoichiometry | ABCD2 |
| Number of species | 4 |
| Number of atoms | 5 |
| Unique ID | 13 |
| Unit cell volume [Å3] | 68.351 |
| Name of the structure | MgTaO2N |
| Perovskite phase | cubic |
| Direct bandgap GLLB-SC [eV] | 2.496 |
| Indirect bandgap GLLB-SC [eV] | 1.902 |
| Derivative discontinuity GLLB-SC [eV] | 0.373 |
| Calculated efficiency (thickness 1 nm) [eV] | 0.040 |
| Calculated efficiency (infinite thickness) [eV] | 0.093 |
| Energy [eV] | -39.583 |
| Total magnetic moment [μB] | 0.000 |