Formula Ti2Se4
Reduced formula TiSe2
Stoichiometry AB2
Number of species 2
Number of atoms 6
Unique ID Ti2Se4
Unit cell volume [Å3] 195.341
Heat of formation [eV/atom] -1.121
Energy [eV] -34.036
Maximum force [eV/Å] 0.114
Maximum stress component [eV/Å3] 0.004
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -1.759 -3.047 0.003 Yes
2 1.761 -3.046 0.003 Yes
3 -0.905 1.005 18.212 Yes
Lengths [Å] 3.518 3.519 18.262
Angles [°] 94.107 91.270 60.035
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