Formula TaAgS3
Reduced formula TaAgS3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 25
Unit cell volume [Å3] 96.925
E-hull [eV] 0.026
Energy per atom [eV] 2.058
E-hull Uncertainty [eV] 0.080
Energy uncertainty [eV] 0.094
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 TaAgS3
Is reference 0
Energy [eV] -476.578
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.594 0.000 0.000 Yes
2 0.000 4.594 0.000 Yes
3 0.000 0.000 4.594 Yes
Lengths [Å] 4.594 4.594 4.594
Angles [°] 90.000 90.000 90.000
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