Formula Ba4Br8
Reduced formula BaBr2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Ba4Br8
Unit cell volume [Å3] 415.849
Heat of formation [eV/atom] -2.266
Energy [eV] -47.184
Maximum force [eV/Å] 0.015
Maximum stress component [eV/Å3] 0.005
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 8.319 0.000 0.000 Yes
2 0.000 4.999 0.000 Yes
3 0.000 0.000 9.998 Yes
Lengths [Å] 8.319 4.999 9.998
Angles [°] 90.000 90.000 90.000
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