Formula Nb2O2Br4
Reduced formula NbOBr2
Stoichiometry ABC2
Number of species 3
Number of atoms 8
Unique ID Nb2O2Br4
Unit cell volume [Å3] 189.053
Heat of formation [eV/atom] -1.647
Energy [eV] -50.416
Maximum force [eV/Å] 0.636
Maximum stress component [eV/Å3] 0.020
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 3.943 0.000 Yes
2 -1.834 0.000 6.808 Yes
3 7.038 -1.971 0.019 Yes
Lengths [Å] 3.943 7.051 7.309
Angles [°] 104.362 105.646 90.000
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