Formula Nb4O4Br12
Reduced formula NbOBr3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID Nb4O4Br12
Unit cell volume [Å3] 547.888
Heat of formation [eV/atom] -1.464
Energy [eV] -110.101
Maximum force [eV/Å] 0.815
Maximum stress component [eV/Å3] 0.013
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.954 0.000 0.000 Yes
2 0.000 11.772 0.000 Yes
3 0.000 0.000 11.772 Yes
Lengths [Å] 3.954 11.772 11.772
Angles [°] 90.000 90.000 90.000
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