Formula Zr2Cl6
Reduced formula ZrCl3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Zr2Cl6
Unit cell volume [Å3] 217.289
Heat of formation [eV/atom] -1.792
Energy [eV] -39.851
Maximum force [eV/Å] 0.256
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.441 0.000 0.000 Yes
2 -3.220 5.578 0.000 Yes
3 0.000 0.000 6.048 Yes
Lengths [Å] 6.441 6.441 6.048
Angles [°] 90.000 90.000 120.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web