Formula Pb4I8
Reduced formula PbI2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Pb4I8
Unit cell volume [Å3] 540.961
Heat of formation [eV/atom] -0.692
Energy [eV] -35.163
Maximum force [eV/Å] 0.031
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.640 0.000 0.000 Yes
2 -2.320 4.018 0.000 Yes
3 0.000 0.000 29.013 Yes
Lengths [Å] 4.640 4.640 29.013
Angles [°] 90.000 90.000 120.000
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