Formula Zr2Cl8
Reduced formula ZrCl4
Stoichiometry AB4
Number of species 2
Number of atoms 10
Unique ID Zr2Cl8
Unit cell volume [Å3] 285.083
Heat of formation [eV/atom] -1.839
Energy [eV] -47.478
Maximum force [eV/Å] 0.227
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.416 0.000 0.007 Yes
2 0.000 7.472 0.000 Yes
3 -2.079 0.000 5.945 Yes
Lengths [Å] 6.416 7.472 6.298
Angles [°] 90.000 109.209 90.000
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