Formula Zr2Br6
Reduced formula ZrBr3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID Zr2Br6
Unit cell length [Å] 6.270
X Zr
Y Br
XY3 formula units 2
Workfunction [V] 4.207
Energy [eV] -828.897
Maximum force [eV/Å] 0.000
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 20.048 0.000 0.000 No
2 0.000 20.399 0.000 No
3 0.000 0.000 6.270 Yes
Lengths [Å] 20.048 20.399 6.270
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web