Formula Zr4I8
Reduced formula ZrI2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Zr4I8
Unit cell volume [Å3] 409.673
Heat of formation [eV/atom] -0.908
Energy [eV] -52.332
Maximum force [eV/Å] 0.089
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.769 0.000 0.000 Yes
2 0.000 6.914 0.000 Yes
3 0.000 0.000 15.723 Yes
Lengths [Å] 3.769 6.914 15.723
Angles [°] 90.000 90.000 90.000
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