AFLUX: The LUX materials search API for the AFLOW data repositories
arXiv:1612.05130
Abstract
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.
13 pages, 3 figures, 4 tables
References in corpus (4)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- High-Throughput Computational Screening of thermal conductivity, Debye temperature and Grüneisen parameter using a quasi-harmonic Debye Model
- Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints
- A RESTful API for exchanging Materials Data in the AFLOWLIB.org consortium