Formula Zr2Cl2
Reduced formula ZrCl
Stoichiometry AB
Number of species 2
Number of atoms 4
Unique ID Cl2Zr2
Unit cell volume [Å3] 91.564
Heat of formation [eV/atom] -1.312
Energy [eV] -23.625
Maximum force [eV/Å] 0.217
Maximum stress component [eV/Å3] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 -3.436 0.000 Yes
2 -2.984 1.718 0.000 Yes
3 1.975 0.000 -8.932 Yes
Lengths [Å] 3.436 3.443 9.147
Angles [°] 100.788 90.000 119.927
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