Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials.
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We have added over 47,000 new compounds! We also improved feedback on structure submission via the Crystal Toolkit. More info coming soon.
Nov. 1, 2018: Database V2018.11 ReleasedIn this major release, we have changed the grouping of magnetic materials and fixed many display/labeling issues. More info.
Aug. 23, 2018: MP book chapter releasedOur contributed chapter to Springer's Handbook of Materials Modeling has been released online.
Aug. 3, 2018: X-Ray Absorption Spectra: Browse, Compare, and Automatically MatchWe now have more than 500,000 K-edge X-ray absorption near edge (XANES) spectra for more than 50,000 unique materials. More info.
July 27, 2018: Automatically Extracted Synthesis DescriptionsFor thousands of compounds, synthesis descriptions are now available, along with links to relevant full publications. More info.
Search for materials information by chemistry, composition, or property
Find candidate materials for lithium batteries. Get voltage profiles and oxygen evolution data.
Generate phase and pourbaix diagrams to find stable phases and study reaction pathways
Design new compounds with our structure editor and substitution algorithms
Calculate the enthalpy of 10,000+ reactions and compare with experimental values