Materials Project

A Materials Genome Approach

Accelerating materials discovery through advanced scientific computing and innovative design tools.

Database Statistics

30758	materials	3044	bandstructures
409	intercalation batteries	15175	conversion batteries

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Search for materials information by chemistry, composition, or property.

Find candidate materials for lithium batteries. Get voltage profiles and oxygen evolution data.

Convert between CIF and VASP input files. Generate new crystals by substituting or removing species.

Computational phase diagrams for closed and open systems. Find stable phases and study reaction pathways.

Calculate the enthalpy of tens of thousands of reactions and compare with experimental values.

Predict new compounds using data-mined substitution algorithms.

Find out more about our open Materials API and pymatgen library for querying large amounts of data.

The Improper Bostonian

Advanced Scientific Computing Research Discovery