Formula Zr2Br2
Reduced formula ZrBr
Stoichiometry AB
Number of species 2
Number of atoms 4
Unique ID Br2Zr2
Unit cell volume [Å3] 101.465
Heat of formation [eV/atom] -1.025
Energy [eV] -22.075
Maximum force [eV/Å] 0.188
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.522 0.000 0.000 Yes
2 -1.761 3.050 0.000 Yes
3 -1.761 1.017 9.443 Yes
Lengths [Å] 3.522 3.522 9.660
Angles [°] 79.495 100.505 120.000
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