Formula Ta12S8
Reduced formula Ta3S2
Stoichiometry A2B3
Number of species 2
Number of atoms 20
Unique ID S8Ta12
Unit cell volume [Å3] 368.207
Heat of formation [eV/atom] -0.809
Energy [eV] -166.605
Maximum force [eV/Å] 0.025
Maximum stress component [eV/Å3] 0.004
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 0.000 5.641 Yes
2 7.520 0.000 0.000 Yes
3 0.000 8.679 -2.821 Yes
Lengths [Å] 5.641 7.520 9.126
Angles [°] 90.000 108.003 90.000
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