Formula Ta2Ag2S6
Reduced formula TaAgS3
Stoichiometry ABC3
Number of species 3
Number of atoms 10
Unique ID 15
Unit cell volume [Å3] 200.044
E-hull [eV] 0.026
Energy per atom [eV] 0.333
E-hull Uncertainty [eV] 0.080
Energy uncertainty [eV] 0.055
Direct band gap (GLLB-SC) [eV] 0.000
Indirect band gap (GLLB-SC) [eV] 0.000
Band gap (PBEsol) [eV] 0.000
prototype name BaNiO3
Short chemical formula AgTaS3
Is reference 0
Energy [eV] -970.411
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.208 0.000 0.000 Yes
2 0.001 6.051 0.000 Yes
3 1.274 0.001 6.349 Yes
Lengths [Å] 5.208 6.051 6.475
Angles [°] 89.988 78.652 89.995