Formula Br12Al4
Reduced formula Br3Al
Stoichiometry AB3
Number of species 2
Number of atoms 16
Unique ID Al4Br12
Unit cell volume [Å3] 588.896
Heat of formation [eV/atom] -1.129
Energy [eV] -52.030
Maximum force [eV/Å] 0.051
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.661 0.000 -0.024 Yes
2 0.000 7.278 0.000 Yes
3 -1.200 0.000 10.565 Yes
Lengths [Å] 7.661 7.278 10.633
Angles [°] 90.000 96.656 90.000
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