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OMDB

The Organic Materials Database (OMDB) is a free, open-access database focused on the electronic and magnetic
structures of over 40,000 organic and organometallic crystals, developed and hosted at the Nordic Institute
for Theoretical Physics.
The database provides information such as electronic band structures and density of states calculated using
ab initio methods based on Density Functional Theory (DFT).
It is designed to be a resource for data-driven materials discovery, facilitating data mining and machine
learning techniques to search for novel functional organic materials.

  • Information
  • Case / Article
  • Learning Content
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  • Developer’s Voice

Information

Official site https://omdb.mathub.io
Openness ★★★
Manual https://omdb.mathub.io/page/tutorials
Download https://omdb.mathub.io/dataset
License

The database is described as free and open access.
Specific terms and conditions are available at
https://omdb.mathub.io/page/terms.

By using OMDB, users agree not to upload inappropriate information, to respect third-party rights,
and not to use the service solely for self-promotion or advertising.
Registration is limited to users aged 16 and above, or those with parental consent.
OMDB reserves the right to remove content at any time and to track visited materials
to manage access quotas.
Core Developers

The OMDB is developed and maintained by researchers including Alexander Balatsky,
Stanislav Borysov, Matthias Geilhufe, and collaborators.
The project is associated with the theoretical quantum matter group at
NORDITA (The Nordic Institute for Theoretical Physics).

The developer team can be found at
https://omdb.mathub.io/page/team,
and public users are listed at
https://omdb.mathub.io/user.

Alexander Balatsky

https://physics.uconn.edu/person/alexander-balatsky/

  • Department of Physics, College of Liberal Arts and Sciences, University of Connecticut
  • Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University
  • ETH Institute for Theoretical Studies

Richard Matthias Geilhufe

https://www.chalmers.se/en/persons/geilhufe/?tab=0

  • Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University
  • Department of Physics, Chalmers University of Technology

Stanislav Borysov

https://dtu.academia.edu/StanislavBorysov

  • Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University
  • Department of Technology, Management and Economics, Technical University of Denmark
Availability

The database is free to use, but full functionality requires user registration.
Registration is limited to academic users with a valid institutional email address.
Related Papers

Borysov, S. S., Geilhufe, R. M., Balatsky, A. V.,
Organic materials database: An open-access online database for data mining,
PLOS ONE, 12(2), e0171501 (2017).
https://doi.org/10.1371/journal.pone.0171501

Hellsvik, J., Pérez, R. D., Geilhufe, R. M., Månsson, M., Balatsky, A. V.,
Spin wave excitations of magnetic metalorganic materials,
Physical Review Materials, 4(2), 024409 (2020).
http://dx.doi.org/10.1103/PhysRevMaterials.4.024409
Related Sites
  • Crystallography Open Database (COD):
    Structural information is taken from
    http://www.crystallography.net/,
    providing standardized CIF files transformed for use with VASP via the Pymatgen package.
  • Vienna ab-initio Simulation Package (VASP):
    Used to perform Density Functional Theory calculations for database entries.
  • Quantum ESPRESSO:
    Used to perform Density Functional Theory calculations for database entries.