| Formula | Cd4Si4N8 |
| Reduced formula | CdSiN2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 8 |
| Unit cell volume [Å3] | 188.759 |
| E-hull [eV] | -0.077 |
| Kohn Sham band gap [eV] | 1.730 |
| Effective electron mass [me] | 0.309 |
| Effective hole mass [me] | -9.375 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.710 |
| Energy per atom [eV] | 0.086 |
| Uncertanty of the convex hull energy [eV] | 0.048 |
| Uncertanty of the total energy [eV] | 0.010 |
| Direct band gap (GLLB-SC) [eV] | 2.450 |
| Indirect band gap (GLLB-SC) [eV] | 2.450 |
| Direct band gap (TB09) [eV] | 2.250 |
| Indirect band gap (TB09) [eV] | 2.250 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | CdSiN2 |
| Total energy (mBEEF) [eV] | -762.176 |
| Energy [eV] | -762.176 |