Formula Ga2Cl6
Reduced formula GaCl3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Ga2Cl6
Unit cell volume [Å3] 239.749
Heat of formation [eV/atom] -1.102
Energy [eV] -25.332
Maximum force [eV/Å] 0.456
Maximum stress component [eV/Å3] 0.016
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 6.895 0.000 Yes
2 -6.026 3.447 0.001 Yes
3 1.876 -3.447 5.770 Yes
Lengths [Å] 6.895 6.942 6.979
Angles [°] 118.587 119.602 60.227
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web