Formula Nb12Cl20O8
Reduced formula Nb3Cl5O2
Stoichiometry A2B3C5
Number of species 3
Number of atoms 40
Unique ID O8Nb12Cl20
Unit cell volume [Å3] 804.917
Heat of formation [eV/atom] -1.748
Energy [eV] -270.531
Maximum force [eV/Å] 0.542
Maximum stress component [eV/Å3] 0.010
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.735 0.000 0.000 Yes
2 0.000 8.165 0.000 Yes
3 0.000 0.000 14.637 Yes
Lengths [Å] 6.735 8.165 14.637
Angles [°] 90.000 90.000 90.000
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