Formula O2Zr2Br6
Reduced formula OZrBr3
Stoichiometry ABC3
Number of species 3
Number of atoms 10
Unique ID Zr2Br6O2
Unit cell length [Å] 6.471
X Zr
Y Br
XY3 formula units 2
Adsorbate O
Workfunction [V] 6.086
Adsorption energy [eV] 0.160
Coverage 1.000
Energy [eV] -866.842
Maximum force [eV/Å] 0.009
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 20.499 -0.000 -0.000 No
2 0.000 20.784 -0.000 No
3 0.000 -0.000 6.471 Yes
Lengths [Å] 20.499 20.784 6.471
Angles [°] 90.000 90.000 90.000
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