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@example.com
Database Release Notes
Methodology and Calculation Accuracy
- Materials Explorer - Search through the database of calculated data
- Battery Explorer - Search the Materials Project database for Li-ion battery materials
- Crystal Toolkit - Generate new crystals by substituting or removing species.
- Structure Predictor - Predict crystal structures
- Phase Diagram - Compute thermodynamic phase equilibria
- Pourbaix App - Compute aqueous stability
- Reaction Calculator - Estimate solid-state reaction enthalpies from DFT calculations
- Nanoporous Materials Explorer - Search through the database of calculated data of nanoporous materials
- NRF Solubility App - Link reaction potential and equivalent weight to target solubility for non-aqueous redox flow (NRF) battery cost
See also the materials_django github wiki.
- Developer's Area - Resources for developers
- The Materials API - A RESTful API for accessing Materials Project data.