Formula Zr4O8
Reduced formula ZrO2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Zr4O8
Unit cell volume [Å3] 143.589
Heat of formation [eV/atom] -3.515
Energy [eV] -112.790
Maximum force [eV/Å] 0.265
Maximum stress component [eV/Å3] 0.008
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.185 0.000 0.008 Yes
2 0.000 5.211 0.000 Yes
3 0.891 0.000 5.316 Yes
Lengths [Å] 5.185 5.211 5.390
Angles [°] 90.000 80.397 90.000
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