XAS databases and repositories – perspective and current status

Abhijeet Gaur; Hitoshi Abe; Masashi Ishii; Sebastian Paripsa; Jan-Dierk Grunwaldt; Dirk Lützenkirchen-Hecht

doi:10.1016/j.radphyschem.2026.113897

ジャーナル論文 XAS databases and repositories – perspective and current status

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Abhijeet Gaur, Hitoshi Abe, Masashi Ishii, Sebastian Paripsa, Jan-Dierk Grunwaldt, Dirk Lützenkirchen-Hecht. XAS databases and repositories – perspective and current status. Radiation Physics and Chemistry. 2026, 245 (), 113897. https://doi.org/10.1016/j.radphyschem.2026.113897

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(abstract)

XAFS methods are widely used, and there is a strong demand to establish well-maintained and reliable XAFS databases. Several XAFS databases have been independently developed based on different requirements of the XAS users’ community. In this paper, the features of already existing XAS databases are briefly discussed and summarized. The important components and features of two recently developed XAS databases – MDR XAFS database from Japan and RefXAS database under DAPHNE4NFDI from Germany are described. We further discuss the general challenges of developing such databases, including sustainability, metadata structure, sample identification, curation, user feedback and standardization of data formats.

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