Welcome to the Materials Project wiki.
In this wiki, we have collected all the write-ups and manuals for the Materials Project. You will find in here a discussion of all the theoretical methodology and computational infrastructure that form the backbone of the project. We make every effort to keep this information as possible, and as our project evolves, we will update these materials constantly.
If you would like to become a contributor to this wiki, please send an email to [email protected]
Database Release Notes
Methodology and Calculation Accuracy
- Materials Explorer - Search through the database of calculated data
- Reaction Calculator - Estimate solid-state reaction enthalpies from DFT calculations
- Phase Diagram - Compute thermodynamic phase equilibria
- Structure Predictor - Predict crystal structures
- Battery Explorer - Search the Materials Project database for Li-ion battery materials
- Pourbaix App - Compute aqueous stability
- Developer's Area - Resources for developers
- The Materials API - A RESTful API for accessing Materials Project data.