Formula Ag2Ta2S6
Reduced formula AgTaS3
Stoichiometry ABC3
Number of species 3
Number of atoms 10
Unique ID 3
Unit cell volume [Å3] 189.633
Direct bandgap GLLB-SC. [eV] 0.449
Indirect bandgap GLLB-SC. [eV] 0.136
Derivative discontinuity GLLB-SC. [eV] 0.036
ID of materials in Materials project 5821
ID of materials in ICSD 84910
Energy [eV] -51.598
Total magnetic moment [μB] -0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.392 0.000 0.000 Yes
2 -1.696 7.180 0.000 Yes
3 0.000 0.000 7.786 Yes
Lengths [Å] 3.392 7.378 7.786
Angles [°] 90.000 90.000 103.290
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