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cff-version: 1.2.0
message: |
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 http://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
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