| Formula | CsPbI3 |
| Reduced formula | CsPbI3 |
| Stoichiometry | ABC3 |
| Number of species | 3 |
| Number of atoms | 5 |
| Unique ID | 7 |
| Unit cell volume [Å3] | 247.093 |
| Direct GLLB-SC+SOC bandgap [eV] | 1.624 |
| Indirect GLLB-SC+SOC bandgap [eV] | 1.624 |
| GLLB-SC Derivative discontinuity [eV] | 1.131 |
| Name given to the crystal structure | CsPbI3 |
| Symmetry of the crystal | cubic |
| Space group of the crystal | Pm-3m |
| Energy [eV] | -14.883 |