High-throughput calculation screening for new silicon allotropes with monoclinic symmetry

Fan, Q.; Wu, J.; Zhao, Y.; Song, Y.; Yun, S.

doi:10.1107/S2052252523004207

Figure 1
(a) The speed and number of new structures generated. (b)–(d) The number of different space groups in the new structures predicted by RG². (e) The distribution of different space groups after optimization.

IUCrJ

Volume 10| Part 4| July 2023| Pages 464-474

ISSN: 2052-2525

https://doi.org/10.1107/S2052252523004207

CHEMISTRY | CRYSTENG

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