Formula Ag4Ta4S12
Reduced formula AgTaS3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID 21
Unit cell volume [Å3] 383.770
E-hull [eV] 0.026
Energy per atom [eV] 0.216
E-hull Uncertainty [eV] 0.080
Energy uncertainty [eV] 0.033
Direct band gap (GLLB-SC) [eV] 0.000
Indirect band gap (GLLB-SC) [eV] 0.000
Band gap (PBEsol) [eV] 0.000
prototype name GdFeO3
Short chemical formula TaAgS3
Is reference 0
Energy [eV] -1943.165
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.083 0.000 -0.000 Yes
2 0.000 13.150 -0.000 Yes
3 0.000 0.000 4.798 Yes
Lengths [Å] 6.083 13.150 4.798
Angles [°] 90.000 90.000 89.999
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