---
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, Lawrence Berkeley National Laboratory]
    first_name: Janosh
    last_name: Riebesell
    orcid: 0000-0001-5233-3462
  - affiliations:
      [Department of Chemical & Biological Engineering, Princeton 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
  - affiliations: [MS1P]
    first_name: Andrey
    last_name: Sobolev
  - affiliations: [University of Arizona]
    first_name: Thomas
    last_name: Purcell
    orcid: 0000-0003-4564-7206
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"
