Formula Zr4I12
Reduced formula ZrI3
Stoichiometry AB3
Number of species 2
Number of atoms 16
Unique ID Zr4I12
Unit cell volume [Å3] 684.679
Heat of formation [eV/atom] -0.990
Energy [eV] -63.193
Maximum force [eV/Å] 0.090
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 13.419 0.000 0.000 Yes
2 0.000 6.578 0.000 Yes
3 0.000 0.000 7.757 Yes
Lengths [Å] 13.419 6.578 7.757
Angles [°] 90.000 90.000 90.000
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