Formula | Bi2Ag2S6 |
Reduced formula | BiAgS3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 10 |
Unique ID | 5 |
Unit cell volume [Å3] | 253.924 |
E-hull [eV] | -0.179 |
Energy per atom [eV] | 0.174 |
E-hull Uncertainty [eV] | 0.063 |
Energy uncertainty [eV] | 0.046 |
Direct band gap (GLLB-SC) [eV] | 1.441 |
Indirect band gap (GLLB-SC) [eV] | 1.289 |
Band gap (PBEsol) [eV] | 0.413 |
prototype name | BaNiO3 |
Short chemical formula | AgBiS3 |
Is reference | 0 |
Energy [eV] | -1094.337 |