Band structure, equation of state, electronic density of states and electrical transport properties data are also available for download, but the file is a few tens GB large.
Please contact us to download
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.