| Formula | Al4Ga4As8 |
| Reduced formula | AlGaAs2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 4 |
| Unit cell volume [Å3] | 367.954 |
| E-hull [eV] | 0.037 |
| Kohn Sham band gap [eV] | 1.280 |
| Effective electron mass [me] | 0.195 |
| Effective hole mass [me] | -0.102 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.480 |
| Energy per atom [eV] | 0.014 |
| Uncertanty of the convex hull energy [eV] | 0.017 |
| Uncertanty of the total energy [eV] | 0.007 |
| Direct band gap (GLLB-SC) [eV] | 1.760 |
| Indirect band gap (GLLB-SC) [eV] | 1.760 |
| Direct band gap (TB09) [eV] | 1.900 |
| Indirect band gap (TB09) [eV] | 1.900 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | AlGaAs2 |
| Total energy (mBEEF) [eV] | -970.742 |
| Energy [eV] | -970.742 |