Formula ZrS2
Reduced formula ZrS2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID ZrS2
Unit cell volume [Å3] 69.612
Heat of formation [eV/atom] -1.578
Energy [eV] -20.294
Maximum force [eV/Å] 0.209
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.677 -0.000 0.000 Yes
2 -1.839 3.185 0.000 Yes
3 0.000 0.000 5.943 Yes
Lengths [Å] 3.677 3.678 5.943
Angles [°] 90.000 89.995 120.003
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