Formula TiF3
Reduced formula TiF3
Stoichiometry AB3
Number of species 2
Number of atoms 4
Unique ID TiF3
Unit cell volume [Å3] 57.524
Heat of formation [eV/atom] -3.453
Energy [eV] -25.262
Maximum force [eV/Å] 0.000
Maximum stress component [eV/Å3] 0.043
Total magnetic moment [μB] 1.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.861 -0.004 -0.003 Yes
2 0.064 3.860 -0.003 Yes
3 0.064 0.063 3.860 Yes
Lengths [Å] 3.861 3.861 3.861
Angles [°] 89.104 89.104 89.104
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