Formula I2Br2
Reduced formula IBr
Stoichiometry AB
Number of species 2
Number of atoms 4
Unique ID Br2I2
Unit cell volume [Å3] 157.332
Heat of formation [eV/atom] -0.082
Energy [eV] -6.453
Maximum force [eV/Å] 0.010
Maximum stress component [eV/Å3] 0.006
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 2.460 -3.603 0.000 Yes
2 -2.460 -3.603 0.000 Yes
3 0.000 0.000 -8.876 Yes
Lengths [Å] 4.363 4.363 8.876
Angles [°] 90.000 90.000 68.646
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web