Formula Zr2S6
Reduced formula ZrS3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Zr2S6
Unit cell volume [Å3] 171.551
Heat of formation [eV/atom] -1.249
Energy [eV] -49.270
Maximum force [eV/Å] 0.167
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.175 0.000 0.006 Yes
2 0.000 3.649 0.000 Yes
3 -1.139 0.000 9.083 Yes
Lengths [Å] 5.175 3.649 9.154
Angles [°] 90.000 97.083 90.000
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