Formula | ClCsPbI2 |
Reduced formula | ClCsPbI2 |
Stoichiometry | ABCD2 |
Number of species | 4 |
Number of atoms | 5 |
Unique ID | 6 |
Unit cell volume [Å3] | 223.088 |
Direct GLLB-SC+SOC bandgap [eV] | 1.306 |
Indirect GLLB-SC+SOC bandgap [eV] | 1.306 |
GLLB-SC Derivative discontinuity [eV] | 0.694 |
Name given to the crystal structure | CsPbI2Cl |
Symmetry of the crystal | cubic |
Space group of the crystal | Pm-3m |
Energy [eV] | -15.960 |