Formula | Bi4Ag4S12 |
Reduced formula | BiAgS3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 20 |
Unique ID | 2 |
Unit cell volume [Å3] | 458.337 |
E-hull [eV] | -0.179 |
Energy per atom [eV] | 0.126 |
E-hull Uncertainty [eV] | 0.063 |
Energy uncertainty [eV] | 0.031 |
Direct band gap (GLLB-SC) [eV] | 0.275 |
Indirect band gap (GLLB-SC) [eV] | 0.275 |
Band gap (PBEsol) [eV] | 0.053 |
prototype name | GdFeO3 |
Short chemical formula | AgBiS3 |
Is reference | 0 |
Energy [eV] | -2189.631 |