Formula Ti6Se8
Reduced formula Ti3Se4
Stoichiometry A3B4
Number of species 2
Number of atoms 14
Unique ID Ti6Se8
Unit cell volume [Å3] 301.194
Heat of formation [eV/atom] -1.220
Energy [eV] -85.080
Maximum force [eV/Å] 0.068
Maximum stress component [eV/Å3] 0.006
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 9.894 -0.000 0.000 Yes
2 -4.947 8.569 0.000 Yes
3 0.000 0.000 3.553 Yes
Lengths [Å] 9.894 9.894 3.553
Angles [°] 90.000 90.000 120.000
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