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If you use pymatgen in your research, please consider citing the following:

In addition, some of pymatgen's functionality is based on scientific advances

/ principles developed by the computational materials scientists in our team.

Please refer to pymatgen's docs at https://pymatgen.org on how to cite them.

authors:

- family-names: Ong

given-names: Shyue Ping

orcid: https://orcid.org/0000-0001-5726-2587

- family-names: Richards

given-names: William Davidson

- family-names: Jain

given-names: Anubhav

orcid: https://orcid.org/0000-0001-5893-9967

- family-names: Hautier

given-names: Geoffroy

- family-names: Kocher

given-names: Michael

- family-names: Cholia

given-names: Shreyas

- family-names: Gunter

given-names: Dan

- family-names: Chevrier

given-names: Vincent L.

- family-names: Persson

given-names: Kristin A.

orcid: https://orcid.org/0000-0003-2495-5509

- family-names: Ceder

given-names: Gerbrand

orcid: https://orcid.org/0000-0001-9275-3605

title: 'Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis'

version: 2022.1.24 # replace with whatever version you use

doi: 10.1016/j.commatsci.2012.10.028

date-released: 2013-06-04

url: https://github.com/materialsproject/pymatgen

issn: 09270256

journal: Computational Materials Science

pages: 314-319

volume: 68

year: 2013