M. I. Heggie et al. / Instability of tetrahedral bonding for the C₁₀₀ molecule

Figure 1.  C₁₀₀ model suggested by Zeger and Kaxiras with the inner C₂₀ dodecahedron shaded.  There are three shells of atoms, displayed with decreasing atomic radii and shades to differentiate shells.

More . . .

• Abstract
• Figure 2.  C₁₀₀ structure after optimisation.
• Figure 3.  Molecular energy per atom as a function of the constrained radius of the middle 20-atom shell.

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