Formula Nb2Br10
Reduced formula NbBr5
Stoichiometry AB5
Number of species 2
Number of atoms 12
Unique ID Nb2Br10
Unit cell volume [Å3] 374.573
Heat of formation [eV/atom] -0.904
Energy [eV] -47.341
Maximum force [eV/Å] 0.194
Maximum stress component [eV/Å3] 0.005
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.535 -0.010 0.003 Yes
2 -3.145 6.380 -0.005 Yes
3 -0.141 -3.563 8.992 Yes
Lengths [Å] 6.535 7.113 9.673
Angles [°] 108.940 90.784 116.324
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