Formula Pt4I8
Reduced formula PtI2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Pt4I8
Unit cell volume [Å3] 400.981
Heat of formation [eV/atom] -0.161
Energy [eV] -39.178
Maximum force [eV/Å] 0.105
Maximum stress component [eV/Å3] 0.010
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.689 0.000 -0.005 Yes
2 0.000 8.813 0.000 Yes
3 -1.550 0.000 6.803 Yes
Lengths [Å] 6.689 8.813 6.977
Angles [°] 90.000 102.884 90.000
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