Formula TaSe2
Reduced formula TaSe2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID TaSe2
Unit cell volume [Å3] 123.881
Heat of formation [eV/atom] -0.837
Energy [eV] -19.294
Maximum force [eV/Å] 0.027
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -3.473 0.000 0.000 Yes
2 -1.736 -2.997 0.000 Yes
3 1.736 0.000 11.903 Yes
Lengths [Å] 3.473 3.464 12.029
Angles [°] 94.149 98.299 59.917
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