Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Comment on the stability of decorated C 48 B 12 heterofullerene   A good hydrogen storage material should adsorb hydrogen in high
concentrations and with optimal binding energies. Numerous mixed carbon boron
fullerenes which are decorated with metal atoms were previously constructed by
hand and proposed as a promising material in this context. We present a fully
ab-initio, unbiased structure search in the configurational space of decorated
C48B12 and find that most of the hitherto postulated ground state structures
are not ground states. We determine the energetically lowest configurations for
Be, Ca, Li and Sc decorated C48B12 clusters.

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The categories of this paper are: atom-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: q-alg
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The categories of this paper are: acc-phys
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The categories of this paper are: cs
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The categories of this paper are: alg-geom
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The categories of this paper are: gr-qc
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The categories of this paper are: comp-gas
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The categories of this paper are: math
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The categories of this paper are: q-fin
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The categories of this paper are: hep-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: hep-th
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The categories of this paper are: adap-org
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The categories of this paper are: eess
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The categories of this paper are: bayes-an