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100+ datasets found
  1. m

    MC3D - 3D Crystals Database

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

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

    • archive.materialscloud.org
    bin
    Updated Mar 3, 2026
  3. o

    The Materials Cloud 2D database (MC2D)

    • opendata.swiss
    Updated Mar 12, 2026
  4. e

    The Materials Cloud 2D database (MC2D)

    • data.europa.eu
    unknown
    Updated Jun 27, 2026
  5. e

    Materials Cloud three-dimensional crystals database (MC3D)

    • data.europa.eu
    unknown
  6. o

    Data from: Optical materials discovery and design with federated databases...

    • opendata.swiss
    Updated Mar 12, 2026
  7. m

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

    • archive.materialscloud.org
    bin, zip
    Updated Mar 22, 2024
  8. o

    Data from: MC3D: The Materials Cloud computational database of...

    • opendata.swiss
    Updated Mar 12, 2026
  9. c

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

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

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

    • opendata.swiss
    Updated Mar 12, 2026
  11. c

    HTA - An open-source software for assigning heads and tails to SMILES in...

    • materialscloud-archive-failover.cineca.it
    csv, md
    Updated Jul 31, 2025
  12. c

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

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

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

    • archive.materialscloud.org
    bin, txt, zip
    Updated Jan 26, 2026
  14. o

    Data from: A robust framework for generating adsorption isotherms to screen...

    • opendata.swiss
    Updated Mar 12, 2026
  15. o

    Data from: A data-driven perspective on the colours of metal-organic...

    • opendata.swiss
    Updated Mar 12, 2026
  16. e

    Data from: MC3D: The Materials Cloud computational database of...

    • data.europa.eu
    unknown
  17. c

    One dimensional edge localized YSR states in CrCl₃ on NbSe₂

    • materialscloud-archive-failover.cineca.it
    bin, md, png, txt
    Updated Apr 16, 2026
  18. o

    Data from: Bias free multiobjective active learning for materials design and...

    • opendata.swiss
    Updated Mar 12, 2026
  19. o

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

    • opendata.swiss
    Updated Mar 12, 2026
  20. m

    A FEM dataset of Ge film profiles and elastic energies for machine learning...

    • archive.materialscloud.org
    bin, txt, zip
    Updated Apr 1, 2026
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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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