Dataset for sustainability screening of 30,201 predicted equimolar high-entropy alloys

Published: 1 April 2026| Version 1 | DOI: 10.17632/mztgnp8wb6.1
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Description

The dataset contains alloy-level descriptors for 30,201 candidate single-phase compositions identified from a palette of 40 elements. For each alloy, the dataset reports metrics related to supply concentration (HHI), environmental, social and governance risk (ESG), combined supply risk, companionability, production and reserve constraints, limiting elements, and CO2 and energy footprints under primary, recycled and actual scenarios (recycling-adjusted). The variables were derived from published sources and public databases, then aggregated at alloy level using arithmetic, probabilistic and weakest-link formulations. The dataset is intended for sustainable-by-design alloy selection, benchmarking of materials-screening pipelines, sensitivity analyses using alternative weighting strategies, and identification of bottleneck elements that constrain industrial scalability. Users can reuse the data to build their own composite indicators, test different thresholds, or couple sustainability descriptors with functional-property data.

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Materials Science, Sustainability, Supply Risk

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