Welcome to the Materials Project.
This is public documentation for the Materials Project (MP). The Materials Project is a decade-long effort from the Department of Energy to pre-compute properties of "materials" and make this data publicly available, with the intent of accelerating the process of materials discovery. In this context, a material can mean either an inorganic crystal (like silicon), or a molecule (like ethylene carbonate). Possible applications are vast, but might include better batteries, solar energy, water splitting, optoelectronics, catalysts and more (see here for a list of publications).

Table of Contents


This section contains information on how we generate and validate our computed data sets.


This section talks about how we present information on the Materials Project website as "apps", and what these apps contain.

Getting Involved

The Materials Project is a public, collaborative project, offered free of charge. It only succeeds thanks to the efforts of everyone who participates! Visit this section to learn how to get involved.


If you notice an error or omission, please let us know at our user forum located at or directly via [email protected]
The Materials Project documentation is a living document and always a work-in-progress.