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

Abstract

Automated computational materials science frameworks rapidly generate large quantities of materials data for accelerated materials design. In order to take advantage of these large databases, users should have the ability to efficiently search and extract the desired data. Therefore, we have extended the data-oriented AFLOW-repository Application-Program-Interface (API) (Comput. Mater. Sci. 93, 178 (2014)) to enable programmatic access to search queries. A Uniform Resource Identifier (URI)-based search API is proposed for the construction of complex queries for remote creation and retrieval of customized data sets. It is expected that the new language, AFLUX, from “Automatic Flow of LUX (light)”, will enable remote search operations on the AFLOW set of computational materials science data repositories. In addition, AFLUX facilitates the verification and validation of the data in the AFLOW repositories.