Formula Cu2S4
Reduced formula CuS2
Stoichiometry AB2
Number of species 2
Number of atoms 6
Unique ID Cu2S4
Unit cell volume [Å3] 98.381
Heat of formation [eV/atom] -0.118
Energy [eV] -24.372
Maximum force [eV/Å] 0.142
Maximum stress component [eV/Å3] 0.014
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.701 0.000 0.000 Yes
2 0.000 5.819 0.000 Yes
3 0.000 0.000 3.597 Yes
Lengths [Å] 4.701 5.819 3.597
Angles [°] 90.000 90.000 90.000
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