ascii xyz files for all pure fullerene isomers from C20 to C80, and stable structures for C28Hn and C40Hn, n=1..5, geometrically optimised with xTB.

<p>ascii xyz files for all pure fullerene isomers from C20 to C80, and stable structures for C28Hn and C40Hn, n=1..5, geometrically optimised with xTB.</p> <p>Data refers to structures generated with the paper published in MDPI Crystals 2021 article &quot;Methodological Investigation for Hydrogen Addition to Small Cage Carbon Fullerenes&quot;.&nbsp; Please cite this article if you use this data, many thanks.&nbsp; The article pre-print can be found here: https://www.preprints.org/manuscript/202109.0361/v1&nbsp;&nbsp; but please cite the final published article.</p>