Formula Zr2Cl6
Reduced formula ZrCl3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Zr2Cl6
Unit cell length [Å] 6.076
X Zr
Y Cl
XY3 formula units 2
Workfunction [V] 4.235
Energy [eV] -470.150
Maximum force [eV/Å] 0.003
Maximum stress component [eV/Å3] 0.001
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 19.956 0.000 0.000 No
2 0.000 19.989 0.000 No
3 0.000 0.000 6.076 Yes
Lengths [Å] 19.956 19.989 6.076
Angles [°] 90.000 90.000 90.000
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