| Formula | Si4Zn4As8 |
| Reduced formula | SiZnAs2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 19 |
| Unit cell volume [Å3] | 342.273 |
| E-hull [eV] | 0.189 |
| Kohn Sham band gap [eV] | 0.550 |
| Effective electron mass [me] | 0.436 |
| Effective hole mass [me] | -0.112 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.230 |
| Energy per atom [eV] | 0.036 |
| Uncertanty of the convex hull energy [eV] | 0.040 |
| Uncertanty of the total energy [eV] | 0.009 |
| Direct band gap (GLLB-SC) [eV] | 0.820 |
| Indirect band gap (GLLB-SC) [eV] | 0.780 |
| Direct band gap (TB09) [eV] | 0.930 |
| Indirect band gap (TB09) [eV] | 0.850 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | ZnSiAs2 |
| Total energy (mBEEF) [eV] | -959.939 |
| Energy [eV] | -959.939 |