Formula | BiAgS3 |
Reduced formula | BiAgS3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 5 |
Unique ID | 8 |
Unit cell volume [Å3] | 121.699 |
E-hull [eV] | -0.179 |
Energy per atom [eV] | 0.082 |
E-hull Uncertainty [eV] | 0.063 |
Energy uncertainty [eV] | 0.021 |
Direct band gap (GLLB-SC) [eV] | 1.311 |
Indirect band gap (GLLB-SC) [eV] | 1.138 |
Band gap (PBEsol) [eV] | 0.650 |
prototype name | distorted |
Short chemical formula | AgBiS3 |
Is reference | 0 |
Energy [eV] | -547.625 |