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100+ datasets found
  1. m

    The Materials Cloud 2D database (MC2D)

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    bin, json, pdf +3
    Updated Jun 24, 2022
  2. c

    Materials Cloud three-dimensional crystals database (MC3D)

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bin, text/markdown +1
    Updated Mar 12, 2022
  3. m

    Massive Atomic Diversity: a compact universal dataset for atomistic machine...

    • archive.materialscloud.org
    application/gzip, bin +2
    Updated Jun 26, 2025
  4. m

    Density functional theory study of silicon nanowires functionalized by...

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    bin, text/markdown +1
    Updated Dec 18, 2024
    + more versions
  5. m

    Dataset for first-principles diagrammatic Monte Carlo for electron-phonon...

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    text/markdown, zip
    Updated May 8, 2025
    + more versions
  6. TCSP2.0_database

    • figshare.com
    application/gzip
    Updated Feb 10, 2025
  7. c

    Data from: Simulated sulfur K-edge X-ray absorption spectroscopy database of...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bz2, csv +3
    Updated Apr 12, 2023
  8. m

    Data from: Spectral operator representations

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    application/gzip +1
    Updated Aug 26, 2024
  9. m

    Data from: Large-scale machine-learning-assisted exploration of the whole...

    • archive.materialscloud.org
    bz2, text/markdown +2
    Updated Oct 4, 2022
  10. c

    Data from: Exploring the magnetic landscape of easily-exfoliable...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    text/markdown, txt +1
    Updated Jan 26, 2026
  11. m

    Data from: Hydroxylation-driven surface reconstruction at the origin of...

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    text/markdown, txt +1
    Updated Jan 26, 2026
  12. c

    One dimensional edge localized YSR states in CrCl₃ on NbSe₂

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bin, png +2
    Updated Jan 22, 2025
  13. c

    TopoMat: a database of high-throughput first-principles calculations of...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    application/gzip +2
    Updated May 15, 2019
  14. c

    Data from: Accurate and efficient protocols for high-throughput...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bin, text/markdown +1
    Updated Apr 17, 2025
  15. c

    Data from: Two-dimensional materials from high-throughput computational...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    application/gzip, bin +2
    Updated Dec 2, 2020
    + more versions
  16. C

    Cloud-Based Molecular Modelling Software Report

    • datainsightsmarket.com
    doc, pdf, ppt
    Updated Feb 9, 2026
  17. c

    Computational design of moiré assemblies aided by artificial intelligence

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    text/markdown, txt +1
    Updated Jun 1, 2021
  18. c

    Data from: Chemical Shifts in Molecular Solids by Machine Learning Datasets

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bin, text/markdown +1
    Updated May 27, 2019
  19. M

    Materials Testing Softwares Report

    • datainsightsmarket.com
    doc, pdf, ppt
    Updated Feb 5, 2026
  20. Carbon24

    • figshare.com
    txt
    Updated Apr 27, 2023
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Davide Campi; Nicolas Mounet; Marco Gibertini; Giovanni Pizzi; Nicola Marzari; Davide Campi; Nicolas Mounet; Marco Gibertini; Giovanni Pizzi; Nicola Marzari (2022). The Materials Cloud 2D database (MC2D) [Dataset]. http://doi.org/10.24435/materialscloud:36-nd

The Materials Cloud 2D database (MC2D)

Explore at:
5 scholarly articles cite this dataset (View in Google Scholar)
zip, txt, pdf, bin, json, text/markdownAvailable download formats
Dataset updated
Jun 24, 2022
Dataset provided by
Materials Cloud
Authors
Davide Campi; Nicolas Mounet; Marco Gibertini; Giovanni Pizzi; Nicola Marzari; Davide Campi; Nicolas Mounet; Marco Gibertini; Giovanni Pizzi; Nicola Marzari
License

Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
License information was derived automatically

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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