Formula I4
Reduced formula I
Stoichiometry A
Number of species 1
Number of atoms 4
Unique ID I4
Unit cell volume [Å3] 175.639
Heat of formation [eV/atom] 0.000
Energy [eV] -5.914
Maximum force [eV/Å] 0.071
Maximum stress component [eV/Å3] 0.004
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -3.930 -2.302 0.000 Yes
2 -3.930 2.302 0.000 Yes
3 0.000 0.000 -9.707 Yes
Lengths [Å] 4.555 4.555 9.707
Angles [°] 90.000 90.000 60.709
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