Formula PtS2
Reduced formula PtS2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID PtS2
Unit cell volume [Å3] 56.860
Heat of formation [eV/atom] -0.378
Energy [eV] -15.645
Maximum force [eV/Å] 0.077
Maximum stress component [eV/Å3] 0.009
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.591 0.000 -0.000 Yes
2 -1.795 3.109 0.000 Yes
3 -0.000 -0.000 5.093 Yes
Lengths [Å] 3.591 3.590 5.093
Angles [°] 90.000 90.006 119.999
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