Formula Nb2I6
Reduced formula NbI3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Nb2I6
Unit cell volume [Å3] 324.608
Heat of formation [eV/atom] -0.477
Energy [eV] -33.341
Maximum force [eV/Å] 0.045
Maximum stress component [eV/Å3] 0.001
Total magnetic moment [μB] 2.675
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.449 0.000 0.000 Yes
2 -3.724 6.451 0.000 Yes
3 0.000 0.000 6.755 Yes
Lengths [Å] 7.449 7.449 6.755
Angles [°] 89.999 89.999 120.000
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