High-throughput design of functional materials using materials genome approach

Yang Kesong^{1, 2, †}

(color online) High-throughput design of Heusler-based magnets. Structural models of (a) regular Heusler, (b) inverse Heusler, and (c) half Heusler. (d) Primitive unit cell to construct electronic structure database. (e) Convex hull diagram for Al–Mn–Ni. (f) High-throughput workflow for searching for Heusler-based magnets. Adapted and redesigned from Ref. [19]