Formula Be3F6
Reduced formula BeF2
Stoichiometry AB2
Number of species 2
Number of atoms 9
Unique ID Be3F6
Unit cell volume [Å3] 82.522
Heat of formation [eV/atom] -3.276
Energy [eV] -50.112
Maximum force [eV/Å] 0.201
Maximum stress component [eV/Å3] 0.073
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.385 0.000 0.000 Yes
2 -2.193 3.798 0.000 Yes
3 0.000 0.000 4.955 Yes
Lengths [Å] 4.385 4.385 4.955
Angles [°] 90.000 90.000 120.000
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