Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs

Wei, Y.; Li, S.; Shi, X.; He, C.

doi:10.1107/S2052252525005810

Figure 3
Scatter plots of the relative average energies (eV per atom) versus equilibrium volumes (Å³ per atom) of the potential (a) carbon and (b) silicon phases calculated from PBE functionals. Some well known old phases marked as red hexagons are selected for comparison.

IUCrJ

Volume 12| Part 5| September 2025| Pages 523-530

ISSN: 2052-2525

https://doi.org/10.1107/S2052252525005810

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