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

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arxiv 1612.05130 v1 pith:QUEINFZO submitted 2016-12-15 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords datamaterialssearchaflowafluxcomputationalcreationqueries
verification ladder T0 review T1 audit T2 compute T3 formal
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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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