Formula Zr2Br6
Reduced formula ZrBr3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Zr2Br6
Unit cell volume [Å3] 257.309
Heat of formation [eV/atom] -1.437
Energy [eV] -35.811
Maximum force [eV/Å] 0.180
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.897 0.000 0.000 Yes
2 -3.448 5.973 0.000 Yes
3 0.000 0.000 6.247 Yes
Lengths [Å] 6.897 6.897 6.247
Angles [°] 90.000 90.000 120.000
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