Formula Ti24Se12
Reduced formula Ti2Se
Stoichiometry AB2
Number of species 2
Number of atoms 36
Unique ID Se12Ti24
Unit cell volume [Å3] 585.420
Heat of formation [eV/atom] -0.830
Energy [eV] -232.244
Maximum force [eV/Å] 0.126
Maximum stress component [eV/Å3] 0.009
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 11.733 0.000 0.000 Yes
2 0.000 14.505 0.000 Yes
3 0.000 0.000 3.440 Yes
Lengths [Å] 11.733 14.505 3.440
Angles [°] 90.000 90.000 90.000
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