.. image:: static/logo.png

2DHub.org provides access to a curated set of open databases and software
tools for two-dimensional materials science.  Except for the experimental
database X2DB, the databases contain results from first-principles
calculations performed with the GPAW electronic structure code.

YouTube: `@2dhub-1 <https://www.youtube.com/@2dhub-1>`__

.. list-table::
   :class: frontpage
   :widths: 3 3

   * - .. image:: static/c2db.png
          :align: center
          :height: 105px
          :target: c2db/c2db.html

       Computational 2D Materials Database
       (`C2DB <https://c2db.fysik.dtu.dk/>`__)

     - .. image:: static/bidb.png
          :align: center
          :height: 105px
          :target: bidb/bidb.html

       van der Waals Bilayer Database
       (`BiDB <https://bidb.fysik.dtu.dk>`__)

   * - .. image:: static/qpod.png
          :align: center
          :height: 105px
          :target: qpod/qpod.html

       Quantum Point Defects Database
       (`QPOD <https://qpod.fysik.dtu.dk>`__)

     - .. image:: static/hetdb.png
          :align: center
          :height: 105px
          :target: hetdb/hetdb.html

       van der Waals 2D Heterostructure Database
       (`HetDB <https://hetdb.fysik.dtu.dk>`__)

   * - .. image:: static/2dalloys.png
          :align: center
          :height: 105px
          :target: 2dalloys/2dalloys.html

       2D-Alloy Database
       (`2DAlloys <https://cmrdb.fysik.dtu.dk/2dalloys>`__)

     - .. image:: static/x2db.png
          :align: center
          :height: 105px
          :target: x2db/x2db.html

       Experimental 2D Materials Database
       (`X2DB <https://x2db.fysik.dtu.dk/>`__)


.. toctree::
    :hidden:

    c2db/c2db
    bidb/bidb
    hetdb/hetdb
    qpod/qpod
    2dalloys/2dalloys
    x2db/x2db


Software
========

* `GPAW <https://gpaw.readthedocs.io/>`__ electronic structure code
* `TaskBlaster <https://taskblaster.readthedocs.io/>`__ workflow framework
* `QEH model <https://qeh.readthedocs.io/>`__ – dielectric screening
  in 2D heterostructures
* `Moiré structure generator
  <https://gitlab.com/asr-dev/asr-lib/-/tree/hetDB/hetdb/tasks>`__
* `This web-page <https://gitlab.com/camd/2dhub/>`__


.. _GPAW: https://gpaw.readthedocs.io/
.. _X2DB: https://x2db.fysik.dtu.dk/


Other databases
===============

* `CMR <https://cmr.fysik.dtu.dk/>`__
* `Materials Project <https://materialsproject.org/>`__
* `NOMAD <https://www.nomad-coe.eu/nomad-coe>`__
* `OQMD <https://oqmd.org/>`__
* `Materials Cloud 2D <https://mc2d.materialscloud.org>`__
* `Topological 2D Materials Database
  <https://topologicalquantumchemistry.com/topo2d/index.html>`__

---

All CMR databases are licensed under a
`Creative Commons Attribution-ShareAlike 4.0
International License <https://creativecommons.org/licenses/by-sa/4.0/>`__
|bysa|


.. |bysa| image:: https://licensebuttons.net/l/by-sa/4.0/88x31.png
    :target: https://creativecommons.org/licenses/by-sa/4.0/
    :alt: Creative Commons License