Formula Zr2Se6
Reduced formula ZrSe3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Zr2Se6
Unit cell volume [Å3] 198.999
Heat of formation [eV/atom] -1.077
Energy [eV] -44.317
Maximum force [eV/Å] 0.127
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.458 0.000 0.008 Yes
2 0.000 3.783 0.000 Yes
3 -1.233 0.000 9.636 Yes
Lengths [Å] 5.458 3.783 9.715
Angles [°] 90.000 97.207 90.000
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