Formula Zr2
Reduced formula Zr
Stoichiometry A
Number of species 1
Number of atoms 2
Unique ID Zr2
Unit cell volume [Å3] 46.892
Heat of formation [eV/atom] 0.000
Energy [eV] -14.806
Maximum force [eV/Å] 0.003
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.235 0.000 0.000 Yes
2 -1.618 2.802 0.000 Yes
3 0.000 0.000 5.173 Yes
Lengths [Å] 3.235 3.235 5.173
Angles [°] 90.000 90.000 120.001
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web