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100+ datasets found
  1. m

    MC3D - 3D Crystals Database

    • mc3d.materialscloud.org
    Updated Dec 14, 2022
  2. m

    PET-MAD, a lightweight universal interatomic potential for advanced...

    • archive.materialscloud.org
    gz, md, txt
    Updated Sep 25, 2025
  3. m

    Data from: High-quality, high-information datasets for universal atomistic...

    • archive.materialscloud.org
    bin, md, xyz
    Updated Mar 3, 2026
  4. c

    The Materials Cloud 2D database (MC2D)

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bin, json, md, pdf +2
    Updated Jun 24, 2022
  5. f

    FAIRsharing record for: Materials Cloud

    • fairsharing.org
    Updated Jun 21, 2018
  6. m

    Materials Cloud three-dimensional crystals database (MC3D)

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    bin, md, zip
    Updated Mar 12, 2022
  7. m

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

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    md, zip
    Updated May 8, 2025
    + more versions

  8. TCSP2.0_database

    • figshare.com
    gz
    Updated Feb 10, 2025
  9. c

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

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bz2, csv, md +2
    Updated Apr 12, 2023
  10. m

    Data from: Spectral operator representations

    • archive.materialscloud.org
    • materialscloud-archive-failover.cineca.it
    gz, md
    Updated Aug 26, 2024
  11. c

    One dimensional edge localized YSR states in CrCl₃ on NbSe₂

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bin, md, png, txt
    Updated Apr 16, 2026
  12. m

    Complexity of many-body interactions in transition metals via...

    • archive.materialscloud.org
    md, zip
    Updated Mar 22, 2024
  13. c

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

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    gz, md, txt
    Updated May 15, 2019
  14. c

    Exploring the magnetic landscape of easily-exfoliable two-dimensional...

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    md, txt, zip
    Updated Jan 26, 2026
  15. C

    Cloud-Based Molecular Modelling Software Report

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

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

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    bz2, md, txt
    Updated May 1, 2023
    + more versions
  17. c

    Data from: Data-driven studies of magnetic two-dimensional materials

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    csv, md, rtf
    Updated May 20, 2019
  18. c

    Computational design of moiré assemblies aided by artificial intelligence

    • materialscloud-archive-failover.cineca.it
    • archive.materialscloud.org
    md, txt, zip
    Updated Jun 1, 2021
  19. m

    Data from: Hubbard U through polaronic defect states

    • archive.materialscloud.org
    md, txt, zip
    Updated Jan 6, 2023
  20. m

    Point cloud raw data of composite layup with air pockets

    • data.mendeley.com
    Updated Apr 16, 2020
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Materials Cloud (2022). MC3D - 3D Crystals Database [Dataset]. https://mc3d.materialscloud.org

MC3D - 3D Crystals Database

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Dataset updated
Dec 14, 2022
Dataset authored and provided by
Materials Cloud
License

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

Description

A curated database of computationally relaxed three-dimensional crystal structures based on raw data from experimental crystallographic sources.

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