| Formula | Sn4Zn4P8 |
| Reduced formula | SnZnP2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 24 |
| Unit cell volume [Å3] | 356.345 |
| E-hull [eV] | -0.016 |
| Kohn Sham band gap [eV] | 0.990 |
| Effective electron mass [me] | 0.134 |
| Effective hole mass [me] | -0.129 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.400 |
| Energy per atom [eV] | 0.015 |
| Uncertanty of the convex hull energy [eV] | 0.039 |
| Uncertanty of the total energy [eV] | 0.008 |
| Direct band gap (GLLB-SC) [eV] | 1.390 |
| Indirect band gap (GLLB-SC) [eV] | 1.390 |
| Direct band gap (TB09) [eV] | 1.370 |
| Indirect band gap (TB09) [eV] | 1.350 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | ZnSnP2 |
| Total energy (mBEEF) [eV] | -1043.519 |
| Energy [eV] | -1043.519 |