This article reports computations for Al@C 82 , Sc@C 82 , Y@C 82 , and La@C 82 based on encapsulation into the IPR (isolated pentagon rule) C 2v C 82 cage. Their structural and bonding features are also used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. The results can be well related to the ionization potentials of the free metal atoms and thus also rationalized.
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