--- code_id: 11962 open_source: true repository_link: https://github.com/materialsproject/pymatgen accessibility: OS software_type: S developers: - affiliations: ['University of California, Berkeley', Lawrence Berkeley National Laboratory] first_name: Iulia-Oxana last_name: Andriuc orcid: null - affiliations: [Micron Technology Inc.] first_name: Saurabh last_name: Bajaj orcid: null - affiliations: [Hitachi] first_name: Janakiraman last_name: Balachandran orcid: null - affiliations: [Optum] first_name: Tonnam last_name: Balankura orcid: null - affiliations: ['University of California, Berkeley'] first_name: Luis last_name: Barroso-Luque orcid: null - affiliations: [Tilde Materials Informatics] first_name: Evgeny last_name: Blokhin orcid: 0000-0002-5333-3947 - affiliations: [The Pennsylvania State University] first_name: Brandon last_name: Bocklund orcid: 0000-0002-3264-8413 - affiliations: [RWTH Aachen University, Université catholique de Louvain] first_name: Alexander last_name: Bonkowski orcid: 0000-0002-0525-4742 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Danny last_name: Broberg orcid: null - affiliations: [University of Pennsylvania] first_name: Nathan last_name: C. Frey orcid: 0000-0001-5291-6131 - affiliations: [University College London] first_name: Bruno last_name: Camino orcid: 0000-0002-9569-2219 - affiliations: [Cornell University] first_name: Rees last_name: Chang orcid: null - affiliations: [University of California, San Diego] first_name: Chi last_name: Chen orcid: null - affiliations: [Institute of Applied Physics and Computational Mathematics] first_name: Xin last_name: Chen orcid: 0000-0001-9643-0870 - affiliations: [University of California, San Diego] first_name: Yiming last_name: Chen orcid: 0000-0002-1501-5550 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Shreyas last_name: Cholia orcid: 0000-0002-4775-8201 - affiliations: [National Institute of Standards and Technology] first_name: Kamal last_name: Choudhary orcid: 0000-0001-9737-8074 - affiliations: [UC Berkeley, Lawrence Berkeley National Laboratory] first_name: Orion last_name: Cohen orcid: null - affiliations: [University of Florida] first_name: Conrad last_name: Cole orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: John last_name: Dagdelen orcid: null - affiliations: [Light Bytes Technology Ltd.] first_name: Liam last_name: Deacon orcid: null - affiliations: [D. E. Shaw Research] first_name: Elizabeth last_name: Decolvenaere orcid: 0000-0002-6350-3559 - affiliations: [Centre for Advanced 2D Materials, National University of Singapore] first_name: Miguel last_name: Dias Costa orcid: 0000-0001-8859-5763 - affiliations: [University of Liverpool] first_name: Robert last_name: Dickson orcid: 0000-0003-3007-808X - affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley'] first_name: Alex last_name: Dunn orcid: 0000-0002-8567-1879 - affiliations: [LBL] first_name: Shyam last_name: Dwaraknath orcid: 0000-0003-0289-2607 - affiliations: [Northwestern University] first_name: Maxwell last_name: Dylla orcid: null - affiliations: [University of California, Santa Barbara] first_name: Mark last_name: E. Turiansky orcid: 0000-0002-9154-3582 - affiliations: [Swiss Federal Laboratories for Materials Science and Technology] first_name: Kristjan last_name: Eimre orcid: 0000-0002-3444-3286 - affiliations: ['University of California, Berkeley', 'Lawrence Berkeley National Laboratory'] first_name: Alex last_name: Epstein orcid: 0000-0002-9914-2388 - affiliations: [UCLouvain] first_name: Matthew last_name: Evans orcid: 0000-0002-1182-9098 - affiliations: ['CERMICS, Inria Paris and École des Ponts-ParisTech'] first_name: Michael last_name: F. Herbst orcid: 0000-0003-0378-7921 - affiliations: [Université catholique de Louvain] first_name: Adam last_name: Fekete orcid: null - affiliations: [Northwestern University] first_name: Dale last_name: Gaines II orcid: 0000-0001-9280-1240 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Alex last_name: Ganose orcid: 0000-0002-4486-3321 - affiliations: ['Federal Institute for Materials Research and Testing (BAM), Berlin, Germany. Friedrich-Schiller-Universität Jena, Germany.'] first_name: Janine last_name: George orcid: 0000-0001-8907-0336 - affiliations: [University of Pau and Pays de l'Adour] first_name: Salvato-Vallverdu last_name: Germain orcid: 0000-0003-1116-8776 - affiliations: [Université catholique de Louvain] first_name: Matteo last_name: Giantomassi orcid: null - affiliations: [Université catholique de Louvain] first_name: Yannick last_name: Gillet orcid: 0000-0001-6201-0317 - affiliations: [University of Cambridge] first_name: Rhys last_name: Goodall orcid: 0000-0002-6589-1700 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Dan last_name: Gunter orcid: 0000-0002-2779-2744 - affiliations: ['University of California, Berkeley'] first_name: Ayush last_name: Gupta orcid: null - affiliations: [University of Texas at Austin] first_name: Viet-Anh last_name: Ha orcid: 0000-0002-6665-1274 - affiliations: [Los Alamos National Laboratory] first_name: Steven last_name: Hartman orcid: null - affiliations: [Université catholique de Louvain] first_name: Geoffroy last_name: Hautier orcid: 0000-0003-1754-2220 - affiliations: [Max Planck Institute for Solid State Research] first_name: Niclas last_name: Heinsdorf orcid: null - affiliations: [West Virginia University] first_name: Uthpala last_name: Herath orcid: 0000-0002-4585-3002 - affiliations: [West Virginia University] first_name: Uthpala last_name: Herath orcid: 0000-0002-4585-3002 - affiliations: [] first_name: Tim last_name: Holme orcid: 0000-0003-3789-3511 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Matthew last_name: Horton orcid: 0000-0001-7777-8871 - affiliations: ['University of California, Berkeley'] first_name: Tingzheng last_name: Hou orcid: 0000-0002-7163-2561 - affiliations: ['University of California, Berkeley'] first_name: Yu last_name: Hsuan Liang orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: Patrick last_name: Huck orcid: null - affiliations: [University of Notre Dame] first_name: Michael last_name: Humbert orcid: 0000-0003-1966-6382 - affiliations: [Toyota Research Institute] first_name: Linda last_name: Hung orcid: 0000-0002-1578-6152 - affiliations: [Scientific Computing Department, Science and Technology Facilities Council, UK] first_name: Adam last_name: J. Jackson orcid: 0000-0001-5272-6530 - affiliations: [University of Bath] first_name: Benjamin last_name: J. Morgan orcid: 0000-0002-3056-8233 - affiliations: [imec Leuven, 'European Theoretical Spectroscopy Facility'] first_name: Michiel last_name: J. van Setten orcid: 0000-0003-0557-5260 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Anubhav last_name: Jain orcid: 0000-0001-5893-9967 - affiliations: [SUNY Stony Brook] first_name: Jonathan last_name: James Denney orcid: 0000-0002-7615-997X - affiliations: [Los Alamos National Laboratory] first_name: Jan last_name: Janssen orcid: 0000-0001-9948-7119 - affiliations: [Max-Planck-Institut für Eisenforschung GmbH] first_name: Jan last_name: Janssen orcid: 0000-0001-9948-7119 - affiliations: [RWTH Aachen, Forschungszentrum Jülich] first_name: Henning last_name: Jan\xDFen orcid: 0000-0003-3558-9487 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Benjamin last_name: Justus orcid: null - affiliations: [RIKEN] first_name: Eisuke last_name: Kawashima orcid: null - affiliations: [NIOSH] first_name: Alan last_name: Kent Dozier orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: Ryan last_name: Kingsbury orcid: 0000-0002-7168-3967 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Ryan last_name: Kingsbury orcid: 0000-0002-7168-3967 - affiliations: [Erudita] first_name: Michael last_name: Kocher orcid: null - affiliations: [Institute of Metal Physics, UB RAS] first_name: Dmitry last_name: Korotin orcid: 0000-0002-4070-2045 - affiliations: [Tokyo Institute of Technology] first_name: Yu last_name: Kumagai orcid: 0000-0003-0489-8148 - affiliations: [Carnegie Mellon University] first_name: Rachel last_name: Kurchin orcid: 0000-0002-2147-4809 - affiliations: [Physics, University of California, Berkeley] first_name: Katherine last_name: Latimer orcid: null - affiliations: [Tsinghua University] first_name: Weitang last_name: Li orcid: 0000-0002-8739-641X - affiliations: [University of California, San Diego] first_name: Xiangguo last_name: Li orcid: 0000-0002-2062-3809 - affiliations: [TSMC] first_name: Yuh-Chieh last_name: Lin orcid: null - affiliations: ['University of California, Berkeley'] first_name: Handong last_name: Ling orcid: null - affiliations: ['University of Michigan - Shanghai Jiao Tong University Joint Institute'] first_name: Ke last_name: Liu orcid: 0000-0003-3604-1026 - affiliations: [California Institute of Technology] first_name: Zachary last_name: M Gibbs orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: Samuel last_name: M. Blau orcid: 0000-0003-3132-3032 - affiliations: [Lawrence Berkeley National Laboratory] first_name: Brandon last_name: M. Wood orcid: 0000-0002-7251-337X - affiliations: ['École Polytechnique Fédérale de Lausanne'] first_name: Kevin last_name: Maik Jablonka orcid: 0000-0003-4894-4660 - affiliations: [] first_name: Kiran last_name: Mathew orcid: null - affiliations: [University of Wisconsin-Madison] first_name: Tam last_name: Mayeshiba orcid: 0000-0003-3445-7925 - affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley'] first_name: Matthew last_name: McDermott orcid: null - affiliations: [University of Delaware] first_name: Bharat last_name: Medasani orcid: 0000-0002-2073-4162 - affiliations: [Brookhaven National Laboratory] first_name: Fanchen last_name: Meng orcid: null - affiliations: [Brookhaven National Laboratory] first_name: Fanchen last_name: Meng orcid: null - affiliations: [Vilnius University Institute of Biotechnology] first_name: Andrius last_name: Merkys orcid: 0000-0002-7731-6236 - affiliations: [Université catholique de Louvain] first_name: Henrique last_name: Miranda orcid: 0000-0002-2843-0876 - affiliations: [University of Tokyo] first_name: Shishin last_name: Mo orcid: null - affiliations: [The University of Tokyo] first_name: Shishin last_name: Mo orcid: null - affiliations: [Toyota Research Institute] first_name: Joseph last_name: Montoya orcid: 0000-0001-5760-2860 - affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley'] first_name: Guy last_name: Moore orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: Jason last_name: Munro orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: Koki last_name: Muraoka orcid: 0000-0003-1830-7978 - affiliations: [Cornell University] first_name: Hillary last_name: Pan orcid: 0000-0002-4073-2180 - affiliations: [University of Cagliari] first_name: Drew last_name: Parsons orcid: 0000-0002-3956-6031 - affiliations: [Stanford University] first_name: Anjli last_name: Patel orcid: 0000-0002-0590-7619 - affiliations: [Frontier Institute of Science and Technology, Xi''an Jiaotong University, 'Massachusetts Institute of Technology'] first_name: Kai last_name: Pei orcid: 0000-0001-7378-9987 - affiliations: [] first_name: Ioannis last_name: Petousis orcid: null - affiliations: [Université catholique de Louvain] first_name: Guido last_name: Petretto orcid: null - affiliations: [Brookhaven National Laboratory] first_name: Xiaohui last_name: Qu orcid: 0000-0001-5651-8405 - affiliations: ['Materials, Imperial College London', 'Chemistry, University College London', 'Thomas Young Centre'] first_name: 'Se\xE1n' last_name: R. Kavanagh orcid: 0000-0003-4577-9647 - affiliations: ['Friedrich-Schiller-Universität Jena'] first_name: Jens last_name: 'Ren\xE8 Suckert' orcid: null - affiliations: ['IMCN/MODL - Université catholique de Louvain'] first_name: Francesco last_name: Ricci orcid: 0000-0002-2677-7227 - affiliations: [University of Cambridge] first_name: Janosh last_name: Riebesell orcid: 0000-0001-5233-3462 - affiliations: [Department of Chemical & Biological Engineering, Northwestern University] first_name: Andrew last_name: Rosen orcid: 0000-0002-0141-7006 - affiliations: [University of California Berkeley] first_name: Ann last_name: Rutt orcid: 0000-0001-6534-454X - affiliations: [Department of Materials Science and Engineering, Massachusetts Institute of Technology] first_name: Daniel last_name: Schwalbe-Koda orcid: 0000-0001-9176-0854 - affiliations: [UC Berkeley, LBL] first_name: Jimmy-Xuan last_name: Shen orcid: 0000-0002-2743-7531 - affiliations: [Kyoto University] first_name: Kohei last_name: Shinohara orcid: null - affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley'] first_name: Martin last_name: Siron orcid: 0000-0002-4562-7814 - affiliations: ['University of California, Berkeley', 'Lawrence Berkeley National Laboratory'] first_name: Eric last_name: Sivonxay orcid: null - affiliations: [Lawrence Berkeley National Laboratory] first_name: Tess last_name: Smidt orcid: 0000-0001-5581-5344 - affiliations: [Karlsruhe Institute of Technology] first_name: Christopher last_name: Stihl orcid: null - affiliations: [University of North Carolina (Chapel Hill)] first_name: Jack last_name: Sundberg orcid: 0000-0001-5739-8919 - affiliations: [High Energy Accelerator Research Organization, SOKENDAI] first_name: Yuta last_name: Suzuki orcid: 0000-0002-0019-4832 - affiliations: [Microsoft] first_name: Leopold last_name: Talirz orcid: 0000-0002-1524-5903 - affiliations: [PKSHA] first_name: Yohei last_name: Tamura orcid: null - affiliations: [UC San Diego] first_name: Hanmei last_name: Tang orcid: 0000-0003-2659-7768 - affiliations: [Harvard University] first_name: Steven last_name: Torrisi orcid: 0000-0002-4283-8077 - affiliations: [University of California, San Diego] first_name: Richard last_name: Tran orcid: null - affiliations: [Carnegie Mellon University] first_name: Richard last_name: Tran orcid: 0000-0002-0308-2182 - affiliations: [ExoMatter GmbH] first_name: Josua last_name: Vieten orcid: 0000-0002-2060-2039 - affiliations: ['University of California, Berkeley'] first_name: Sudarshan last_name: Vijay orcid: 0000-0001-8242-0161 - affiliations: ['Humboldt-Universität zu Berlin'] first_name: Christian last_name: Vorwerk orcid: 0000-0002-2516-9553 - affiliations: [IDA] first_name: Nicholas last_name: Wagner orcid: null - affiliations: [Institute for Defense Analyses] first_name: Nicholas last_name: Wagner orcid: null - affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley'] first_name: Evan last_name: Walter Clark Spotte-Smith orcid: 0000-0003-1554-197X - affiliations: ['University of California, Berkeley'] first_name: Amanda last_name: Wang orcid: null - affiliations: [University of California, San Diego] first_name: Zhenbin last_name: Wang orcid: null - affiliations: [Argonne National Laboratory] first_name: Logan last_name: Ward orcid: 0000-0002-1323-5939 - affiliations: [Argonne National Laboratory] first_name: Logan last_name: Ward orcid: 0000-0002-1323-5939 - affiliations: [Université catholique de Louvain] first_name: David last_name: Waroquiers orcid: null - affiliations: [Michigan Technological University] first_name: Kevin last_name: Waters orcid: null - affiliations: [Max Planck Institute for Solid State Research] first_name: Oskar last_name: Weser orcid: 0000-0001-5503-1195 - affiliations: [University of California Berkeley, Lawrence Berkeley National Lab] first_name: Nicholas last_name: Winner orcid: 0000-0003-3648-3959 - affiliations: [Consulting at donnywinston.com] first_name: Donny last_name: Winston orcid: 0000-0002-8424-0604 - affiliations: [Computational Materials Physics, Faculty of Physics, University of Vienna] first_name: Michael last_name: Wolloch orcid: 0000-0002-3419-5526 - affiliations: [Lawrence Berkeley National Laboratory, 'University of California, Berkeley', 'National Renewable Energy Laboratory'] first_name: Rachel last_name: Woods-Robinson orcid: 0000-0001-5009-9510 - affiliations: ['University of California, Berkeley'] first_name: Michael last_name: Wu orcid: null - affiliations: ['University of California, Berkeley'] first_name: Yihan last_name: Xiao orcid: 0000-0002-4409-6898 - affiliations: [McGill University] first_name: Shuaishuai last_name: Yuan orcid: 0000-0001-8999-5814 - affiliations: ['Department of Chemistry, University of Bath'] first_name: Pezhman last_name: Zarabadi-Poor orcid: 0000-0002-6377-7592 - affiliations: [Hebei Vocational University of Technology and Engineering] first_name: Hongsheng last_name: Zhao orcid: null - affiliations: [UNNC] first_name: Steven last_name: Zhu orcid: null - affiliations: [Parent] first_name: Nils last_name: Zimmermann orcid: 0000-0003-1063-5926 - affiliations: [SpaceX] first_name: Maarten last_name: de Jong orcid: 0000-0001-9945-1941 contributors: [] sponsoring_organizations: [] contributing_organizations: [University of California, San Diego] research_organizations: [University of California, San Diego] related_identifiers: [] software_title: pymatgen acronym: pymatgen description: | Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project. programming_languages: [Python] documentation_url: https://pymatgen.org country_of_origin: United States licenses: [MIT License] date_record_added: '2018-06-14' date_record_updated: '2022-10-20'