Formula Cr6Br18
Reduced formula CrBr3
Stoichiometry AB3
Number of species 2
Number of atoms 24
Unique ID Cr6Br18
Unit cell volume [Å3] 612.705
Heat of formation [eV/atom] -0.819
Energy [eV] -104.638
Maximum force [eV/Å] 0.044
Maximum stress component [eV/Å3] 0.017
Total magnetic moment [μB] 18.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.289 -0.001 0.001 Yes
2 -3.146 5.446 0.000 Yes
3 0.002 0.003 17.892 Yes
Lengths [Å] 6.289 6.289 17.892
Angles [°] 89.992 89.984 120.022
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