| Formula | Al4In4P8 |
| Reduced formula | AlInP2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 12 |
| Unit cell volume [Å3] | 364.035 |
| E-hull [eV] | 0.025 |
| Kohn Sham band gap [eV] | 1.820 |
| Effective electron mass [me] | 0.164 |
| Effective hole mass [me] | -0.174 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.810 |
| Energy per atom [eV] | 0.017 |
| Uncertanty of the convex hull energy [eV] | 0.020 |
| Uncertanty of the total energy [eV] | 0.010 |
| Direct band gap (GLLB-SC) [eV] | 2.810 |
| Indirect band gap (GLLB-SC) [eV] | 2.620 |
| Direct band gap (TB09) [eV] | 2.410 |
| Indirect band gap (TB09) [eV] | 2.250 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | AlInP2 |
| Total energy (mBEEF) [eV] | -867.403 |
| Energy [eV] | -867.403 |