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100+ datasets found
  1. m

    The Materials Cloud 2D database (MC2D)

    Updated Jun 24, 2022
  2. m

    Materials Cloud three-dimensional crystals database (MC3D)

    Updated Mar 12, 2022
  3. f

    FAIRsharing record for: Materials Cloud

    Updated Jun 21, 2018
  4. m

    Data-driven simulation and characterisation of gold nanoparticles melting

    Updated Aug 11, 2021
  5. Materials Cloud, An Open Science Portal for FAIR Data Sharing

    Updated Jan 21, 2019
  6. m

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

    Updated Oct 4, 2022
  7. m

    Point cloud raw data of composite layup with air pockets

    Updated Apr 16, 2020
  8. m

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

    Updated May 21, 2019
  9. z

    Cloud index fields, cloud motion fields, and supplementary material.

    gif, mp4, tar, txt
    Updated Feb 20, 2019
  10. Record removed

    Updated 2018
  11. W


    Updated Aug 8, 2019
  12. m

    Data from: Machine-learning accelerated identification of exfoliable...

    Updated Jun 24, 2022
  13. r

    Atom Probe Workbench version 1.0.0: An Australian cloud-based platform for...

    Updated Jan 22, 2014
  14. A

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

    • +1more
    Updated Aug 9, 2019
  15. W

    Home Environment: Learning Materials at Home for Children Aged 0-6

    Updated Jun 18, 2019
  16. m

    Data from: Structure-property maps with kernel principal covariates...

    Updated Jul 16, 2020
  17. Supplementary Material for “LiveForen: Ensuring Live Forensic Integrity in...

    Updated Jan 14, 2019
  18. o

    Agro-Based Raw Materials in Edo State

    • +3more
    Updated Sep 13, 2016
  19. Ab initio simulation of band-to-band tunneling FETs with single- and...

    Updated 2019
  20. m

    Data from: Crystal-graph attention networks for the prediction of stable...

    Updated Dec 16, 2021
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Materials Cloud (2022). The Materials Cloud 2D database (MC2D) [Dataset].

The Materials Cloud 2D database (MC2D)

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2 scholarly articles cite this dataset (View in Google Scholar)
Dataset updated
Jun 24, 2022
Dataset provided by
Materials Cloud

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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