Formula | Ta2Ag2S6 |
Reduced formula | TaAgS3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 10 |
Unique ID | 24 |
Unit cell volume [Å3] | 169.329 |
E-hull [eV] | 0.026 |
Energy per atom [eV] | 0.606 |
E-hull Uncertainty [eV] | 0.080 |
Energy uncertainty [eV] | 0.049 |
Direct band gap (GLLB-SC) [eV] | 1.588 |
Indirect band gap (GLLB-SC) [eV] | 1.537 |
Band gap (PBEsol) [eV] | 0.760 |
prototype name | BaNiO3 |
Short chemical formula | TaAgS3 |
Is reference | 0 |
Energy [eV] | -967.680 |