| Formula | PbBr3CNH6 |
| Reduced formula | PbBr3CNH6 |
| Stoichiometry | ABCD3E6 |
| Number of species | 5 |
| Number of atoms | 12 |
| Unique ID | 22 |
| Unit cell volume [Å3] | 210.899 |
| Direct GLLB-SC+SOC bandgap [eV] | 1.964 |
| Indirect GLLB-SC+SOC bandgap [eV] | 1.964 |
| GLLB-SC Derivative discontinuity [eV] | 0.855 |
| Name given to the crystal structure | MAPbBr3 |
| Symmetry of the crystal | cubic |
| Space group of the crystal | Pm-3m |
| Energy [eV] | -54.369 |