Formula Cu6S6
Reduced formula CuS
Stoichiometry AB
Number of species 2
Number of atoms 12
Unique ID Cu6S6
Unit cell volume [Å3] 203.117
Heat of formation [eV/atom] -0.212
Energy [eV] -49.072
Maximum force [eV/Å] 0.069
Maximum stress component [eV/Å3] 0.013
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.779 0.000 0.000 Yes
2 1.890 3.288 0.000 Yes
3 0.000 0.000 16.344 Yes
Lengths [Å] 3.779 3.793 16.344
Angles [°] 90.000 90.000 60.116
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