Formula Ag4Bi4S12
Reduced formula AgBiS3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID 1
Unit cell volume [Å3] 469.375
E-hull [eV] -0.179
Energy per atom [eV] 0.000
E-hull Uncertainty [eV] 0.063
Energy uncertainty [eV] 0.000
Direct band gap (GLLB-SC) [eV] 0.754
Indirect band gap (GLLB-SC) [eV] 0.754
Band gap (PBEsol) [eV] 0.379
prototype name NH4CdCl3/Sn2S3
Short chemical formula AgBiS3
Is reference 0
Energy [eV] -2192.145
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 8.214 1.940 -0.000 Yes
2 0.776 3.988 -0.001 Yes
3 -0.001 -0.002 15.020 Yes
Lengths [Å] 8.440 4.063 15.020
Angles [°] 90.017 90.006 65.699

BS for 1
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