Formula Ag4Bi4S12
Reduced formula AgBiS3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID 4
Unit cell volume [Å3] 481.205
E-hull [eV] -0.179
Energy per atom [eV] 0.123
E-hull Uncertainty [eV] 0.063
Energy uncertainty [eV] 0.012
Direct band gap (GLLB-SC) [eV] 0.000
Indirect band gap (GLLB-SC) [eV] 0.000
Band gap (PBEsol) [eV] 0.000
prototype name PbPS3
Short chemical formula AgBiS3
Is reference 0
Energy [eV] -2189.676
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.465 -0.000 -0.819 Yes
2 3.661 6.917 -0.402 Yes
3 1.010 -0.000 9.209 Yes
Lengths [Å] 7.510 7.836 9.264
Angles [°] 90.000 90.000 61.968
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