Formula Hf4O8
Reduced formula HfO2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Hf4O8
Unit cell volume [Å3] 136.445
Heat of formation [eV/atom] -3.517
Energy [eV] -113.222
Maximum force [eV/Å] 0.116
Maximum stress component [eV/Å3] 0.055
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.085 0.000 -0.002 Yes
2 0.000 5.182 0.000 Yes
3 -0.843 0.000 5.179 Yes
Lengths [Å] 5.085 5.182 5.247
Angles [°] 90.000 99.267 90.000
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