| Formula | Si4Zn4N8 |
| Reduced formula | SiZnN2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 3 |
| Unit cell volume [Å3] | 164.134 |
| E-hull [eV] | 0.144 |
| Kohn Sham band gap [eV] | 3.260 |
| Effective electron mass [me] | 0.335 |
| Effective hole mass [me] | -4.251 |
| Derivative discontinuity (GLLB-SC) [eV] | 1.260 |
| Energy per atom [eV] | 0.054 |
| Uncertanty of the convex hull energy [eV] | 0.071 |
| Uncertanty of the total energy [eV] | 0.007 |
| Direct band gap (GLLB-SC) [eV] | 4.550 |
| Indirect band gap (GLLB-SC) [eV] | 4.520 |
| Direct band gap (TB09) [eV] | 3.910 |
| Indirect band gap (TB09) [eV] | 3.900 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | ZnSiN2 |
| Total energy (mBEEF) [eV] | -489.547 |
| Energy [eV] | -489.547 |