Formula Nb4O4Cl12
Reduced formula NbOCl3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID Nb4O4Cl12
Unit cell volume [Å3] 473.964
Heat of formation [eV/atom] -1.730
Energy [eV] -117.821
Maximum force [eV/Å] 0.259
Maximum stress component [eV/Å3] 0.014
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.860 0.000 0.000 Yes
2 0.000 11.081 0.000 Yes
3 0.000 0.000 11.081 Yes
Lengths [Å] 3.860 11.081 11.081
Angles [°] 90.000 90.000 90.000
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