Formula ZrCl2
Reduced formula ZrCl2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID ZrCl2
Unit cell volume [Å3] 65.616
Heat of formation [eV/atom] -1.694
Energy [eV] -16.057
Maximum force [eV/Å] 0.207
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -1.704 2.951 0.000 Yes
2 3.407 0.000 0.000 Yes
3 1.704 -0.984 -6.527 Yes
Lengths [Å] 3.407 3.407 6.817
Angles [°] 75.530 104.470 120.000
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