| Formula | BrCNPbI2H6 |
| Reduced formula | BrCNPbI2H6 |
| Stoichiometry | ABCDE2F6 |
| Number of species | 6 |
| Number of atoms | 12 |
| Unique ID | 25 |
| Unit cell volume [Å3] | 238.556 |
| Direct GLLB-SC+SOC bandgap [eV] | 1.462 |
| Indirect GLLB-SC+SOC bandgap [eV] | 1.462 |
| GLLB-SC Derivative discontinuity [eV] | 0.750 |
| Name given to the crystal structure | MAPbI2Br |
| Symmetry of the crystal | cubic |
| Space group of the crystal | Pm-3m |
| Energy [eV] | -53.200 |