| Formula | Sn4Zn4As8 |
| Reduced formula | SnZnAs2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 23 |
| Unit cell volume [Å3] | 400.029 |
| E-hull [eV] | 0.238 |
| Kohn Sham band gap [eV] | 0.150 |
| Effective electron mass [me] | 0.108 |
| Effective hole mass [me] | -0.060 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.060 |
| Energy per atom [eV] | 0.018 |
| Uncertanty of the convex hull energy [eV] | 0.053 |
| Uncertanty of the total energy [eV] | 0.007 |
| Direct band gap (GLLB-SC) [eV] | 0.210 |
| Indirect band gap (GLLB-SC) [eV] | 0.210 |
| Direct band gap (TB09) [eV] | 0.650 |
| Indirect band gap (TB09) [eV] | 0.650 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | ZnSnAs2 |
| Total energy (mBEEF) [eV] | -1427.800 |
| Energy [eV] | -1427.800 |