Formula ZrSe2
Reduced formula ZrSe2
Stoichiometry AB2
Number of species 2
Number of atoms 3
Unique ID ZrSe2
Unit cell volume [Å3] 78.820
Heat of formation [eV/atom] -1.366
Energy [eV] -18.465
Maximum force [eV/Å] 0.185
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.793 0.000 -0.000 Yes
2 -1.896 3.285 0.000 Yes
3 -0.000 -0.000 6.326 Yes
Lengths [Å] 3.793 3.793 6.326
Angles [°] 90.000 90.007 119.999
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