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100+ datasets found
  1. m

    The Materials Cloud 2D database (MC2D)

    • archive.materialscloud.org
    Updated Jun 24, 2022
  2. m

    Materials Cloud three-dimensional crystals database (MC3D)

    • archive.materialscloud.org
    Updated Mar 12, 2022
  3. f

    FAIRsharing record for: Materials Cloud

    • fairsharing.org
    • legacy.fairsharing.org
    Updated Jun 21, 2018
  4. m

    Data from: Common workflows for computing material properties using...

    • archive.materialscloud.org
    Updated May 11, 2021
  5. f

    Materials Cloud, An Open Science Portal for FAIR Data Sharing

    • figshare.com
    mp4
    Updated Jan 21, 2019
  6. m

    Data-driven simulation and characterisation of gold nanoparticles melting

    • archive.materialscloud.org
    Updated Aug 11, 2021
  7. Materials Data on Mn2F7 by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2020
  8. Materials Data on LiCr2O4 (SG:15) by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2016
  9. Materials Data on V4O5F7 (SG:3) by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2014
  10. m

    Accurate Characterization of the Pore Volume in Microporous Crystalline...

    • archive.materialscloud.org
    • search.datacite.org
    Updated May 18, 2017
  11. d

    Construction-materials in Cloud County, Kansas (NGMDB)

    • catalog.data.gov
    • datadiscoverystudio.org
    Updated Jan 5, 2021
  12. Materials Data on Yb4Cl6O by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2020
  13. m

    Design rules for interconnects based on graphene nanoribbon junctions

    • archive.materialscloud.org
    Updated Sep 1, 2021
  14. Materials Data on Eu(MgBi)2 by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2020
  15. Data from: Profiling novel high-conductivity 2D semiconductors

    • search.datacite.org
    • archive.materialscloud.org
    Updated 2020
  16. m

    Point cloud raw data of composite layup with air pockets

    • data.mendeley.com
    • www.narcis.nl
    Updated Apr 16, 2020
  17. Materials Data on Li4Ti5Mn3O16 by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2020
  18. Materials Data on Li5NbO5 by Materials Project

    • commons.datacite.org
    • www.osti.gov
    Updated 2020
  19. m

    Data from: The reaction mechanism of the azide–alkyne Huisgen cycloaddition

    • archive.materialscloud.org
    • search.datacite.org
    Updated Oct 9, 2019
  20. f

    MATERIALS-ANSIBLE-TESTING

    • figshare.com
    zip
    Updated Mar 21, 2022
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Materials Cloud (2022). The Materials Cloud 2D database (MC2D) [Dataset]. http://doi.org/10.24435/materialscloud:36-nd

The Materials Cloud 2D database (MC2D)

Dataset updated
Jun 24, 2022
Dataset provided by
Materials Cloud
Description

Two-dimensional (2D) materials are among the most promising candidates for beyond silicon electronic and optoelectronic applications. Recently, their recognized importance, sparked a race to discover and characterize new 2D materials. Within few years the number of experimentally exfoliated or synthesized 2D materials went from a couple of dozens to few hundreds while the number theoretically predicted compounds reached a few thousands. In 2018 we first contributed to this effort with the identification of 1825 compounds that are either easily (1036) or potentially (789) exfoliable from experimentally known 3D compounds. In the present work we report on the new materials recently added to the 2D-portfolio thanks to the extension of the screening to an additional experimental database (MPDS) as well as the most up-to-date versions of the two databases (ICSD and COD) used in our previous work. This expansion led to the discovery of an additional 1252 unique monolayers bringing the total to 3077 compounds and, notably, almost doubling the number of easily exfoliable materials (2004). Moreover, we optimized the structural properties of all the materials (regardless of their binding energy or number of atoms in the unit cell) as isolated mono-layer and explored their electronic band structure. This archive entry contains the database of 2D materials in particular it contains the structural parameters for all the 3077 structures of the global Material Cloud 2D database as extracted from their bulk 3D parent, 2710 optimized 2D structures and 2345 electronic band structure together with the provenance of all data and calculations as stored by AiiDA.

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