Formula CaF2
Reduced formula CaF2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID CaF2
Unit cell volume [Å3] 38.866
Heat of formation [eV/atom] -4.047
Energy [eV] -17.326
Maximum force [eV/Å] 0.020
Maximum stress component [eV/Å3] 0.040
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 2.689 -2.689 0.000 Yes
2 -2.689 0.000 -2.689 Yes
3 2.689 2.689 0.000 Yes
Lengths [Å] 3.802 3.802 3.802
Angles [°] 120.000 90.000 120.000
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