Formula BiAgS3
Reduced formula BiAgS3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 7
Unit cell volume [Å3] 134.093
E-hull [eV] -0.179
Energy per atom [eV] 0.805
E-hull Uncertainty [eV] 0.063
Energy uncertainty [eV] 0.075
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 AgBiS3
Is reference 0
Energy [eV] -544.012
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.118 0.000 0.000 Yes
2 0.000 5.118 0.000 Yes
3 0.000 0.000 5.118 Yes
Lengths [Å] 5.118 5.118 5.118
Angles [°] 90.000 90.000 90.000
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