A Materials Genome Approach
Accelerating materials discovery through advanced scientific computing and innovative design tools.
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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.