# Materials Project

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Open-access material properties database

Materials Project Screenshot of the database entry for mp-1071163, a polymorph of titanium(II) oxide Type of site Scientific database Founder Kristin Persson URL materialsproject.org Commercial No Registration Optional Users 600,000 (2025)[1] Launched 2011

The **Materials Project** is an open-access database offering material properties[2] to accelerate the development of technology by predicting how new materials–both real and hypothetical–can be used.[3] The project was established in 2011 with an emphasis on battery research,[4] but includes property calculations for many areas of clean energy systems such as [photovoltaics](/source/Photovoltaics), [thermoelectric](/source/Thermoelectric_materials) materials, and [catalysts](/source/Catalysis).[5] Most of the known 35,000 molecules and over 130,000 [inorganic compounds](/source/Inorganic_compound) are included in the database.[6][7]

Dr. [Kristin Persson](/source/Kristin_Persson) of [Lawrence Berkeley National Laboratory](/source/Lawrence_Berkeley_National_Laboratory) founded and leads the initiative, which uses supercomputers at Berkeley, among other institutions, to run calculations using [Density Functional Theory](/source/Density_functional_theory) (DFT). Commonly computed values include enthalpy of formation, crystal structure, and band gap. The assembled databases of computed structures and properties is freely available to anyone under a [CC 4.0](/source/CC_4.0) license and was developed with ease of use in mind. The data have been used to predict new materials that should be synthesizable,[8] and screen existing materials for useful properties.[9]

The project can be traced back to Persson's [postdoc](/source/Postdoctoral_researcher) research at [MIT](/source/Massachusetts_Institute_of_Technology) in 2004, during which she was given access to a [supercomputer](/source/Supercomputer) to do DFT calculations.[10] After joining Berkeley Lab in 2008, Persson received the necessary funding to make the data from her research freely available.[10]

## References

1. **[^](#cite_ref-1)** Horton, M. K. (2025). ["Accelerated data-driven materials science with the Materials Project"](https://www.nature.com/articles/s41563-025-02272-0). *Nature Materials*. **24**: 1522–1532. [doi](/source/Doi_(identifier)):[10.1038/s41563-025-02272-0](https://doi.org/10.1038%2Fs41563-025-02272-0). [hdl](/source/Hdl_(identifier)):[2078.1/306455](https://hdl.handle.net/2078.1%2F306455).

1. **[^](#cite_ref-2)** Chao, Julie (2013-06-24). ["Development of New Advanced Materials to Get Boost"](https://newscenter.lbl.gov/2013/06/24/development-of-new-advanced-materials-to-get-boost/). *News Center*. Retrieved 2021-03-19.

1. **[^](#cite_ref-3)** Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy; Chen, Wei; Richards, William Davidson; Dacek, Stephen; Cholia, Shreyas; Gunter, Dan; Skinner, David; Ceder, Gerbrand; Persson, Kristin A. (2013-07-01). ["Commentary: The Materials Project: A materials genome approach to accelerating materials innovation"](https://doi.org/10.1063%2F1.4812323). *APL Materials*. **1** (1): 011002. [Bibcode](/source/Bibcode_(identifier)):[2013APLM....1a1002J](https://ui.adsabs.harvard.edu/abs/2013APLM....1a1002J). [doi](/source/Doi_(identifier)):[10.1063/1.4812323](https://doi.org/10.1063%2F1.4812323). [hdl](/source/Hdl_(identifier)):[2078.1/132962](https://hdl.handle.net/2078.1%2F132962).

1. **[^](#cite_ref-4)** ["Batteries included?"](https://www.economist.com/science-and-technology/2013/02/02/batteries-included). *The Economist*. 2013-02-02. [ISSN](/source/ISSN_(identifier)) [0013-0613](https://search.worldcat.org/issn/0013-0613). Retrieved 2021-01-25.

1. **[^](#cite_ref-5)** Duque, Theresa (2020-05-08). ["Q&A With Materials Project Director Kristin Persson"](https://newscenter.lbl.gov/2020/05/08/materials-project-qa-persson/). *News Center*. Retrieved 2021-01-25.

1. **[^](#cite_ref-6)** ["Materials database proves its mettle with new discoveries"](https://news.mit.edu/2014/materials-database-proves-its-mettle-with-new-discoveries-0204). *MIT News | Massachusetts Institute of Technology*. 4 February 2014. Retrieved 2021-03-19.

1. **[^](#cite_ref-7)** ["Materials Project :: About"](https://materialsproject.org/about). *materialsproject.org*. Retrieved 2021-03-19.

1. **[^](#cite_ref-8)** Sun, Wenhao; Bartel, Christopher J.; Arca, Elisabetta; Bauers, Sage R.; Matthews, Bethany; Orvañanos, Bernardo; Chen, Bor-Rong; Toney, Michael F.; Schelhas, Laura T.; Tumas, William; [Tate, Janet](/source/Janet_Tate) (2019-06-17). ["A map of the inorganic ternary metal nitrides"](https://www.nature.com/articles/s41563-019-0396-2). *Nature Materials*. **18** (7): 732–739. [arXiv](/source/ArXiv_(identifier)):[1809.09202](https://arxiv.org/abs/1809.09202). [Bibcode](/source/Bibcode_(identifier)):[2019NatMa..18..732S](https://ui.adsabs.harvard.edu/abs/2019NatMa..18..732S). [doi](/source/Doi_(identifier)):[10.1038/s41563-019-0396-2](https://doi.org/10.1038%2Fs41563-019-0396-2). [ISSN](/source/ISSN_(identifier)) [1476-4660](https://search.worldcat.org/issn/1476-4660). [PMID](/source/PMID_(identifier)) [31209391](https://pubmed.ncbi.nlm.nih.gov/31209391). [S2CID](/source/S2CID_(identifier)) [119461695](https://api.semanticscholar.org/CorpusID:119461695).

1. **[^](#cite_ref-9)** Woods-Robinson, Rachel; Broberg, Danny; Faghaninia, Alireza; Jain, Anubhav; Dwaraknath, Shyam S.; Persson, Kristin A. (2018-10-30). ["Assessing High-Throughput Descriptors for Prediction of Transparent Conductors"](https://pubs.acs.org/doi/full/10.1021/acs.chemmater.8b03529). *Chemistry of Materials*. **30** (22): 8375–8389. [doi](/source/Doi_(identifier)):[10.1021/acs.chemmater.8b03529](https://doi.org/10.1021%2Facs.chemmater.8b03529). [ISSN](/source/ISSN_(identifier)) [0897-4756](https://search.worldcat.org/issn/0897-4756). [OSTI](/source/OSTI_(identifier)) [1571125](https://www.osti.gov/biblio/1571125). [S2CID](/source/S2CID_(identifier)) [54078179](https://api.semanticscholar.org/CorpusID:54078179).

1. ^ [***a***](#cite_ref-:0_10-0) [***b***](#cite_ref-:0_10-1) Duque, Theresa (2020-05-08). ["Q&A With Materials Project Director Kristin Persson"](https://newscenter.lbl.gov/2020/05/08/materials-project-qa-persson/). *News Center*. Retrieved 2021-03-19.

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