Formula Ti4O6
Reduced formula Ti2O3
Stoichiometry A2B3
Number of species 2
Number of atoms 10
Unique ID Ti4O6
Unit cell volume [Å3] 103.679
Heat of formation [eV/atom] -2.920
Energy [eV] -86.709
Maximum force [eV/Å] 0.017
Maximum stress component [eV/Å3] 0.033
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -2.546 4.410 0.000 Yes
2 5.092 0.000 0.000 Yes
3 2.546 -1.470 -4.617 Yes
Lengths [Å] 5.092 5.092 5.474
Angles [°] 62.280 117.720 120.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web