Fig. 1: The Lieb lattice and screening workflow. | npj Computational Materials

Fig. 1: The Lieb lattice and screening workflow.

From: Exploring stable Lieb lattices in two-dimensional binary metal-inorganic frameworks: a high-throughput screening approach

Fig. 1: The Lieb lattice and screening workflow.

a Crystal structure of the Lieb lattice comprises a single corner site-A, and two edge-centered sites-B, within the unit cell which is marked by yellow dashed lines. b The metal and nonmetal elements adopted in the construction of the Lieb lattice. c Workflow for screening stable Lieb lattices from 1470 metal-inorganic frameworks (MIFs). NM, FM, and AFM represent nonmagnet, ferromagnet, and antiferromagnet, respectively. d The percentage of stable MIFs identified. e The binding energies of screened MIFs. The binding energy of experimental realized Cu2N is indicated by the dashed line.

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