Formula Nb4I16
Reduced formula NbI4
Stoichiometry AB4
Number of species 2
Number of atoms 20
Unique ID Nb4I16
Unit cell volume [Å3] 813.281
Heat of formation [eV/atom] -0.490
Energy [eV] -74.755
Maximum force [eV/Å] 0.077
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.892 -7.023 0.000 Yes
2 3.892 7.023 0.000 Yes
3 0.000 0.000 14.876 Yes
Lengths [Å] 8.029 8.029 14.876
Angles [°] 90.000 90.000 122.006
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