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100+ datasets found
  1. d

    The Materials Cloud 2D database (MC2D) - Dataset - B2FIND

    • b2find.dkrz.de
    Updated Apr 4, 2023
    + more versions
  2. m

    Materials Cloud three-dimensional crystals database (MC3D)

    • archive.materialscloud.org
    Updated Mar 12, 2022
    + more versions
  3. m

    Data from: Koopmans spectral functionals: an open-source periodic-boundary...

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Jul 22, 2022
    + more versions
  4. m

    Automated high-throughput Wannierisation

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Nov 25, 2019
    + more versions
  5. m

    Data from: OSCAR: An extensive repository of chemically and functionally...

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Aug 30, 2022
    + more versions
  6. m

    Data from: cell2mol: encoding chemistry to interpret crystallographic data

    • archive.materialscloud.org
    • staging-archive.materialscloud.org
    • +1more
    Updated Apr 25, 2022
    + more versions
  7. m

    Data from: Ab-initio phase diagram and nucleation of gallium

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Apr 20, 2020
    + more versions
  8. Materials Cloud, An Open Science Portal for FAIR Data Sharing

    • figshare.com
    mp4
    Updated Jun 5, 2023
  9. m

    A new dataset of 415k stable and metastable materials calculated with the...

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated May 1, 2023
    + more versions
  10. m

    Orbital-resolved DFT+U for molecules and solids

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Apr 8, 2024
    + more versions
  11. c

    Record removed

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    Updated Dec 2, 2019
    + more versions
  12. c

    Finding new crystalline compounds using chemical similarity

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    Updated May 3, 2021
    + more versions
  13. m

    Gas adsorption and process performance data for MOFs

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Aug 11, 2022
    + more versions
  14. Cloud index fields, cloud motion fields, and supplementary material.

    • zenodo.org
    gif, mp4, tar, txt
    Updated Jul 25, 2024
  15. A

    Map of Surficial Deposits and Materials in the Eastern and Central United...

    • data.amerigeoss.org
    • cloud.csiss.gmu.edu
    • +1more
    html
    Updated Aug 9, 2019
  16. m

    Model structures of the Si(100)-SiO₂ interface

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    Updated Jun 9, 2023
    + more versions
  17. e

    Cloud Microservices Market Size, Share & Trends Analysis Report By...

    • extrapolate.com
    Updated Dec 31, 2020
  18. c

    Ab initio electronic structure of liquid water: Molecular dynamics snapshots...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    Updated Dec 10, 2018
    + more versions
  19. m

    Materials and Chemical Processing Software Market

    • marketresearchintellect.com
    Updated Jan 31, 2024
  20. D

    Materials Requirements Planning (MRP) Software Market Research Report 2032

    • dataintelo.com
    csv, pdf, pptx
    Updated Jan 7, 2025
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(2023). The Materials Cloud 2D database (MC2D) - Dataset - B2FIND [Dataset]. https://b2find.dkrz.de/dataset/eacb138d-4f26-5971-a5ad-82a15c5abb36

The Materials Cloud 2D database (MC2D) - Dataset - B2FIND

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Dataset updated
Apr 4, 2023
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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