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Creators/Authors contains: "Horton, Matthew K"

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  1. ; ; ; ; (, Digital Discovery)
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  2. ; ; ; ; ; ; (, Physical Review Materials)
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  3. ; ; ; ; ; ; (, Computer Physics Communications)
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  4. ; ; ; ; ; (, Science Advances)
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  5. ; ; ; ; ; (, Chemistry of Materials)
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  6. ; ; ; ; ; ; ; ; ; ; et al (, Scientific Data)
    Abstract The L-edge X-ray Absorption Near Edge Structure (XANES) is widely used in the characterization of transition metal compounds. Here, we report the development of a database of computed L-edge XANES using the multiple scattering theory-based FEFF9 code. The initial release of the database contains more than 140,000 L-edge spectra for more than 22,000 structures generated using a high-throughput computational workflow. The data is disseminated through the Materials Project and addresses a critical need for L-edge XANES spectra among the research community. 
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  7. ; ; ; ; ; ; ; ; ; ; et al (, Scientific Data)
    Abstract The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification. 
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