Formula | CNPbBr3H6 |
Reduced formula | CNPbBr3H6 |
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 |