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Candidates for new thermoelectric and superconducting materials, which havenarrow band gap and flat bands near band edges, were searched by thehigh-throughput first-principles calculation from an inorganic materialsdatabase. The synthesized SnBi$_2$Se$_4$ among the target compounds showed anarrow band gap of 354 meV, and a thermal conductivity of 1 W/Km at ambientpressure. The sample SnBi$_2$Se$_4$ showed a metal-insulator transition at 11.1GPa, as predicted by a theoretical estimation. Furthermore, the twopressure-induced superconducting transitions were discovered at under 20.2 GPaand 47.3 GPa. The data-driven search is a promising approach to discover newfunctional materials.

applied physics express

Two Pressure-induced Superconducting Transitions in SnBi$_2$Se$_4$  Explored by Data-driven Materials Search: New Approach to Develop Novel  Functional Materials Including Thermoelectric and Superconducting Materials