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Text-mined dataset of sol-gel synthesis protocols with phase purity outcomes using large language models
- Chen, Wesley Y;
- Lee, Sanghoon;
- Kodalle, Tim;
- Sahinidis, Philothei;
- Ceder, Gerbrand;
- Sutter-Fella, Carolin M;
- Jain, Anubhav
Published Web Location
https://doi.org/10.1038/s41597-026-08492-6Abstract
Sol-gel synthesis is a versatile method for producing inorganic materials that offers advantages such as atomic-level mixing and lower processing temperatures over traditional solid-state methods. Despite these benefits, achieving phase purity remains a challenge due to the process’s sensitivity to synthesis parameters such as precursor choice, solvent selection, and heating conditions. Phase-impure outcomes are essential for understanding sol-gel reaction pathways, but are largely absent from existing curated datasets. This work leverages Gemini 3.0 Flash to construct a text-mined inorganic sol-gel database with phase purity information. The dataset contains ~148,000 synthesis records, including ~28,000 phase-impure entries. All extracted entities achieved F1 scores greater than 0.89. At the record level, 68% of extracted records match human annotation on all evaluated fields. Furthermore, to validate the scientific utility of our dataset, we demonstrate that the aggregated data reproduces previously reported phase-purity trends for BiFeO3 thin films.
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