Formula Ta4F20
Reduced formula TaF5
Stoichiometry AB5
Number of species 2
Number of atoms 24
Unique ID Ta4F20
Unit cell volume [Å3] 279.314
Heat of formation [eV/atom] -3.288
Energy [eV] -149.911
Maximum force [eV/Å] 0.346
Maximum stress component [eV/Å3] 0.053
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.681 0.000 -4.580 Yes
2 -4.496 -6.804 0.094 Yes
3 -4.496 6.804 0.094 Yes
Lengths [Å] 4.630 8.156 8.156
Angles [°] 113.080 95.306 95.306
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