Formula Al4O6
Reduced formula Al2O3
Stoichiometry A2B3
Number of species 2
Number of atoms 10
Unique ID Al4O6
Unit cell volume [Å3] 85.574
Heat of formation [eV/atom] -2.995
Energy [eV] -75.643
Maximum force [eV/Å] 0.039
Maximum stress component [eV/Å3] 0.054
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -4.771 0.000 0.000 Yes
2 2.385 -4.132 0.000 Yes
3 -2.385 1.377 4.341 Yes
Lengths [Å] 4.771 4.771 5.141
Angles [°] 117.643 62.357 120.000
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