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

Shyue Ping Ong; William D. Richards; Anubhav Jain; Geoffroy Hautier; Michael Kocher; Shreyas Cholia; Dan Gunter; Vincent Chevrier; Kristin A. Persson; Gerbrand Ceder

doi:10.1016/j.commatsci.2012.10.028

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

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