Fig. 3 | Scientific Data

Fig. 3

From: High-throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds

Fig. 3

Representation of the workflow outlined in section B of Methods. It starts with the 3814 materials from the C2DB (2020 version) and proceeds to the screening process (purple rectangle), sequence of DFT calculations (dark blue rectangle), and SS identification (blue pentagon), where its underlying algorithm is schematically represented. The final result is a database of SS in 2D materials, identified in valence and/or conduction bands, available in multiple formats and data types (see Data Records section).

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