Formula BaF2
Reduced formula BaF2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID BaF2
Unit cell volume [Å3] 57.510
Heat of formation [eV/atom] -4.015
Energy [eV] -17.047
Maximum force [eV/Å] 0.023
Maximum stress component [eV/Å3] 0.024
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.064 -3.064 0.000 Yes
2 -3.064 0.000 -3.064 Yes
3 3.064 3.064 0.000 Yes
Lengths [Å] 4.333 4.333 4.333
Angles [°] 120.000 90.000 120.000
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