#Materials Project
Materials Project gives on-line access to materials information on known and predicted materials as well as analysis tools to aid the materials design process.
One of the main emphases is the computation of properties for materials which have little or no experimental data available. Choice of material is done by both predictive algorithms and crowd-source methods that allow researchers to submit crystal structures for evaluation. Currently the majority of the data available is on compounds from the Inorganic Crystal Structural Database. Project also provides access to the computed data which allows materials scientists to evaluate potential materials. Materials Project provides structural, electronic and energetic data on the compounds found in the database.
Materials project includes a API which can be accessed through the web based on Representational State Transfer principles. This is privilaged access so users must login and create an API key. They have also provided an python user interface called pymatgen to allow easier access to the available data. In addition they have provided the following GUIs which allow the user to search through the available data:
- Materials Explorer - allows search of materials based on composition or properties
- Lithium Battery Explorer - expansion of the materials explorer that includes application specific search criteria
Materials Project also includes various apps for analysis of the data.
- Phase Diagram - constructs low temperature phase diagrams
- Reaction Calculator - calculates reaction energies
- Pourbaix Diagrams - determines water solubility