| Formula | Al4In4N8 |
| Reduced formula | AlInN2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 7 |
| Unit cell volume [Å3] | 203.871 |
| E-hull [eV] | 0.019 |
| Kohn Sham band gap [eV] | 1.830 |
| Effective electron mass [me] | 0.237 |
| Effective hole mass [me] | -0.282 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.810 |
| Energy per atom [eV] | 0.020 |
| Uncertanty of the convex hull energy [eV] | 0.027 |
| Uncertanty of the total energy [eV] | 0.003 |
| Direct band gap (GLLB-SC) [eV] | 2.640 |
| Indirect band gap (GLLB-SC) [eV] | 2.640 |
| Direct band gap (TB09) [eV] | 2.520 |
| Indirect band gap (TB09) [eV] | 2.520 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | AlInN2 |
| Total energy (mBEEF) [eV] | -775.631 |
| Energy [eV] | -775.631 |