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arxiv: 1612.05130 · v1 · pith:QUEINFZOnew · submitted 2016-12-15 · ❄️ cond-mat.mtrl-sci

AFLUX: The LUX materials search API for the AFLOW data repositories

classification ❄️ cond-mat.mtrl-sci
keywords datamaterialssearchaflowafluxcomputationalcreationqueries
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Automated computational materials science frameworks rapidly generate large quantities of materials data useful for accelerated materials design. We have extended the data oriented AFLOW-repository API (Application-Program-Interface, as described in Comput. Mater. Sci. 93, 178 (2014)) to enable programmatic access to search queries. A URI-based search API (Uniform Resource Identifier) is proposed for the construction of complex queries with the intent of allowing the remote creation and retrieval of customized data sets. It is expected that the new language AFLUX, acronym for Automatic Flow of LUX (light), will facilitate the creation of remote search operations on the AFLOW.org set of computational materials science data repositories.

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