Formula Al2Se2Br14
Reduced formula AlSeBr7
Stoichiometry ABC7
Number of species 3
Number of atoms 18
Unique ID Al2Se2Br14
Unit cell volume [Å3] 651.234
Heat of formation [eV/atom] -0.630
Energy [eV] -47.959
Maximum force [eV/Å] 0.076
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.684 0.000 -0.087 Yes
2 0.000 6.823 -0.000 Yes
3 0.187 -3.197 14.277 Yes
Lengths [Å] 6.685 6.823 14.632
Angles [°] 102.622 90.000 90.000
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