A thermoelectric materials database auto-generated from the scientific literature using ChemDataExtractor

Sierepeklis, Odysseas; Cole, Jacqueline M.

doi:10.1038/s41597-022-01752-1

A thermoelectric materials database auto-generated from the scientific literature using ChemDataExtractor

Journal Article · Sat Oct 22 00:00:00 EDT 2022 · Scientific Data

DOI:https://doi.org/10.1038/s41597-022-01752-1· OSTI ID:2423219

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Univ. of Cambridge (United Kingdom)
Univ. of Cambridge (United Kingdom); Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source

An auto-generated thermoelectric-materials database is presented, containing 22,805 data records, automatically generated from the scientific literature, spanning 10,641 unique extracted chemical names. Each record contains a chemical entity and one of the seminal thermoelectric properties: thermoelectric figure of merit, ZT; thermal conductivity, κ; Seebeck coefficient, S; electrical conductivity, σ; power factor, PF; each linked to their corresponding recorded temperature, T. The database was auto-generated using the automatic sentence-parsing capabilities of the chemistry-aware, natural language processing toolkit, ChemDataExtractor 2.0, adapted for application in the thermoelectric-materials domain, following a rule-based sentence-simplification step. Data were mined from the text of 60,843 scientific papers that were sourced from three scientific publishers: Elsevier, the Royal Society of Chemistry, and Springer. To the best of our knowledge, this is the first automatically-generated database of thermoelectric materials and their properties from existing literature. The database was evaluated to have a precision of 82.25% and has been made publicly available to facilitate the application of data science in the thermoelectric-materials domain, for analysis, design, and prediction.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Argonne Leadership Computing Facility (ALCF)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2423219

Journal Information:: Scientific Data, Journal Name: Scientific Data Journal Issue: 1 Vol. 9; ISSN 2052-4463

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
96 KNOWLEDGE MANAGEMENT AND PRESERVATION
chemical physics
cheminformatics
energy
thermoelectrics

A thermoelectric materials database auto-generated from the scientific literature using ChemDataExtractor

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