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Figure 4
(a) The crystal densities and formation energies of all 87 new 3D sp3 silicon allotrope structures. (b) The detailed crystal densities and formation energies of the 13 monoclinic silicon structures with direct or quasi-direct band gaps.

IUCrJ
Volume 10| Part 4| July 2023| Pages 464-474
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523004207