Formula Pt4I12
Reduced formula PtI3
Stoichiometry AB3
Number of species 2
Number of atoms 16
Unique ID Pt4I12
Unit cell volume [Å3] 550.093
Heat of formation [eV/atom] -0.154
Energy [eV] -45.622
Maximum force [eV/Å] 0.113
Maximum stress component [eV/Å3] 0.007
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -6.811 0.000 -0.026 Yes
2 -3.405 6.094 -0.013 Yes
3 2.576 0.000 -13.244 Yes
Lengths [Å] 6.811 6.981 13.492
Angles [°] 95.239 100.788 60.803
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