Formula Ti2O4
Reduced formula TiO2
Stoichiometry AB2
Number of species 2
Number of atoms 6
Unique ID Ti2O4
Unit cell volume [Å3] 68.760
Heat of formation [eV/atom] -3.081
Energy [eV] -52.361
Maximum force [eV/Å] 0.042
Maximum stress component [eV/Å3] 0.028
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.795 0.000 0.000 Yes
2 0.000 3.795 0.000 Yes
3 -1.898 -1.898 4.774 Yes
Lengths [Å] 3.795 3.795 5.476
Angles [°] 110.275 110.275 90.000
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