Formula Ag4Bi4S12
Reduced formula AgBiS3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID 3
Unit cell volume [Å3] 459.554
E-hull [eV] -0.179
Energy per atom [eV] 0.100
E-hull Uncertainty [eV] 0.063
Energy uncertainty [eV] 0.031
Direct band gap (GLLB-SC) [eV] 0.232
Indirect band gap (GLLB-SC) [eV] 0.232
Band gap (PBEsol) [eV] 0.067
prototype name YScS3
Short chemical formula AgBiS3
Is reference 0
Energy [eV] -2190.146
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.437 -0.000 0.000 Yes
2 -0.000 7.328 -0.000 Yes
3 0.000 -0.000 8.433 Yes
Lengths [Å] 7.437 7.328 8.433
Angles [°] 90.000 90.000 90.000
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