Both the p-type and n-type Pisarenko curves for all the 2,763 entries at 300 K.

High performance TE materials are obtained under high-throughput screening and electrical transport is based on the deformation potential approximation.

The HH130, a standardized database for 130 half-Heusler thermoelectrics, includes 130 training datasets with 31,891 configurations, 390 MLIP models (three models per compound), and input files.

The Cu2-xSe dataset comprises 836 configurations, encompassing high-temperature phases, low-temperature phases, and vacancy-doped structures.

The database incorporates 19 representative semiconductors (including Si, Ge, SiC, and 16 III–V compounds) and provides ~72,000 density functional theory single-point computations across multiple atomic configurations, including intrinsic semiconductors, defect systems, solid solutions, and heterointerfaces.

A dataset of Li/Na sulfide solid electrolytes comprising 221,784 configurations with 29 elements, computed using ABACUS.