| Formula | Cd4Si4P8 |
| Reduced formula | CdSiP2 |
| Stoichiometry | ABC2 |
| Number of species | 3 |
| Number of atoms | 16 |
| Unique ID | 20 |
| Unit cell volume [Å3] | 335.637 |
| E-hull [eV] | 0.126 |
| Kohn Sham band gap [eV] | 0.860 |
| Effective electron mass [me] | 0.609 |
| Effective hole mass [me] | -0.186 |
| Derivative discontinuity (GLLB-SC) [eV] | 0.350 |
| Energy per atom [eV] | 0.057 |
| Uncertanty of the convex hull energy [eV] | 0.073 |
| Uncertanty of the total energy [eV] | 0.011 |
| Direct band gap (GLLB-SC) [eV] | 1.350 |
| Indirect band gap (GLLB-SC) [eV] | 1.210 |
| Direct band gap (TB09) [eV] | 1.220 |
| Indirect band gap (TB09) [eV] | 1.080 |
| Crystal system | Orthorhombic |
| Phase | ST |
| Short chemical formula | CdSiP2 |
| Total energy (mBEEF) [eV] | -852.150 |
| Energy [eV] | -852.150 |