Formula In12Se18
Reduced formula In2Se3
Stoichiometry A2B3
Number of species 2
Number of atoms 30
Unique ID In12Se18
Unit cell volume [Å3] 884.804
Heat of formation [eV/atom] -0.534
Energy [eV] -111.855
Maximum force [eV/Å] 0.133
Maximum stress component [eV/Å3] 0.004
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.285 -0.001 0.001 Yes
2 -3.644 6.305 -0.001 Yes
3 0.001 -0.002 19.265 Yes
Lengths [Å] 7.285 7.282 19.265
Angles [°] 90.018 89.991 120.037
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