Formula In
Reduced formula In
Stoichiometry A
Number of species 1
Number of atoms 1
Unique ID In
Unit cell volume [Å3] 26.682
Heat of formation [eV/atom] 0.000
Energy [eV] -2.763
Maximum force [eV/Å] 0.000
Maximum stress component [eV/Å3] 0.006
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -3.274 0.000 0.000 Yes
2 0.000 -3.274 0.000 Yes
3 1.637 1.637 2.489 Yes
Lengths [Å] 3.274 3.274 3.399
Angles [°] 118.794 118.794 90.000
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