Formula | AgTaS3 |
Reduced formula | AgTaS3 |
Stoichiometry | ABC3 |
Number of species | 3 |
Number of atoms | 5 |
Unique ID | 17 |
Unit cell volume [Å3] | 107.353 |
E-hull [eV] | 0.026 |
Energy per atom [eV] | 0.440 |
E-hull Uncertainty [eV] | 0.080 |
Energy uncertainty [eV] | 0.066 |
Direct band gap (GLLB-SC) [eV] | 0.000 |
Indirect band gap (GLLB-SC) [eV] | 0.000 |
Band gap (PBEsol) [eV] | 0.000 |
prototype name | cubic |
Short chemical formula | AgTaS3 |
Is reference | 0 |
Energy [eV] | -484.672 |