Formula TaS2
Reduced formula TaS2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID TaS2
Unit cell volume [Å3] 110.666
Heat of formation [eV/atom] -1.087
Energy [eV] -21.234
Maximum force [eV/Å] 0.062
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -3.334 0.000 0.000 Yes
2 -1.667 -2.888 0.000 Yes
3 1.667 0.000 11.492 Yes
Lengths [Å] 3.334 3.335 11.613
Angles [°] 94.114 98.253 60.011
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