Formula Nb2Cl8
Reduced formula NbCl4
Stoichiometry AB4
Number of species 2
Number of atoms 10
Unique ID Nb2Cl8
Unit cell volume [Å3] 255.561
Heat of formation [eV/atom] -1.320
Energy [eV] -48.131
Maximum force [eV/Å] 0.232
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 6.853 0.000 Yes
2 3.962 -3.427 4.537 Yes
3 4.260 3.427 -4.534 Yes
Lengths [Å] 6.853 6.930 7.103
Angles [°] 108.275 61.155 119.635
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