Materials Consortia's OPTIMADE list of providers

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OPTIMADE provider "Materials Cloud Archive" (id: mcloudarchive)

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General information

Short description: Databases contributed by the community to the Materials Cloud Archive

Project homepage: https://archive.materialscloud.org

Index Meta-Database URL: https://www.materialscloud.org/optimade/archive

Number of structures: 2,452

Detailed information

(information checked on Tuesday October 08, 2024 at 05:32 UTC)
Index metaDB (/info)State of the /info endpoint of the index meta-database found found Index metaDB versionVersion of the index meta-database v1 Index metaDB (/links)State of the /links endpoint of the index meta-database found found

Databases served by this provider

  • MC Archive 5p-vq (5p-vq)

    https://optimade.materialscloud.org/archive/5p-vq

    V. Trinquet et al., Optical materials discovery and design with federated databases and machine learning, Materials Cloud Archive 2024.114 (2024) doi: 10.24435/materialscloud:5p-vq

    Properties served by this database:

    By entry type (click to expand):
    • references
      • The full list of standard OPTIMADE properties.
    • structures
      • The full list of standard OPTIMADE properties.
      • _mcloudarchive_band_gap Unit: eV
        Description: The PBE band gap for this structure reported by the source database.
        Type: float
      • _mcloudarchive_refractive_index Description: The refractive index computed at the PBE level by DFPT for this structure, following the atomate2 dielectric workflow.
        Type: float

    Validation

    ValidationResults of validation Passed 44 / 45
    ❌ https://optimade.materialscloud.org/archive/5p-vq/v1/structures?filter=last_modified%20%3E=%20%222024-08-05T12:53:10.227548%22

    ResponseError: Supposedly inclusive query 'last_modified >= "2024-08-05T12:53:10.227548"' did not include original entry ID 'agm002133667' (with field 'last_modified' = 2024-08-05T12:53:10.227548) potentially indicating a problem with filtering on this field.


  • MC Archive c8-gy (c8-gy)

    https://optimade.materialscloud.org/archive/c8-gy

    Z. Wang et al., Machine learning-accelerated discovery of A₂BC₂ ternary electrides with diverse anionic electron densities, Materials Cloud Archive 2023.181 (2023) doi: 10.24435/materialscloud:c8-gy

    Properties served by this database:

    By entry type (click to expand):
    • references
      • The full list of standard OPTIMADE properties.
    • structures
      • The full list of standard OPTIMADE properties.
      • _mcloudarchive_convex_hull_distance Description: The distance in energy that this structure lies from the (in this case) Materials Project convex hull, as of Nov 2023.
        Type: float
      • _mcloudarchive_elf_max Unit: dimensionless
        Description: The maximum value of the electron localisation function (ELF) within the unit cell, can be used as an indicator of electride nature.
        Type: float
      • _mcloudarchive_formation_energy_per_atom Description: The formation energy per atom as computed by `atomate2`'s `MPGGARelax` workflow, using the Materials Project elemental chemical potenitals (as of Nov 2023).
        Type: float
      • _mcloudarchive_signed_convex_hull_distance Description: The signed distance in energy that this structure lies from the (in this case) Materials Project convex hull, as of Nov 2023.
        Type: float

    Validation

    ValidationResults of validation Passed 44 / 45
    ❌ https://optimade.materialscloud.org/archive/c8-gy/v1/structures?filter=last_modified%20%3E=%20%222024-08-05T12:53:13.621464%22

    ResponseError: Supposedly inclusive query 'last_modified >= "2024-08-05T12:53:13.621464"' did not include original entry ID 'Ce2ScP2' (with field 'last_modified' = 2024-08-05T12:53:13.621464) potentially indicating a problem with filtering on this field.


  • MC Archive vg-ya (vg-ya)

    https://optimade.materialscloud.org/archive/vg-ya

    L. Kahle et al., High-throughput computational screening for solid-state Li-ion conductors, Materials Cloud Archive 2024.65 (2024) doi: 10.24435/materialscloud:vg-ya

    Properties served by this database:

    By entry type (click to expand):
    • references
      • The full list of standard OPTIMADE properties.
    • structures
      • The full list of standard OPTIMADE properties.

    Validation

    ValidationResults of validation Passed 42 / 46
    ❌ https://optimade.materialscloud.org/archive/vg-ya/v1/structures?filter=last_modified%20%3E=%20%222023-06-12T10:45:54Z%22

    ResponseError: HTTPSConnectionPool(host='optimade.materialscloud.org', port=443): Read timed out. (read timeout=100)


    ❌ https://optimade.materialscloud.org/archive/vg-ya/v1/structures?filter=last_modified%20%3E=%20%222023-06-12T10:45:54Z%22

    ResponseError: Unable to perform mandatory query 'last_modified >= "2023-06-12T10:45:54Z"', which raised the error: ResponseError: HTTPSConnectionPool(host='optimade.materialscloud.org', port=443): Read timed out. (read timeout=100)


    ❌ https://optimade.materialscloud.org/archive/vg-ya/v1/structures?filter=_crazyprovider_field=2

    ResponseError: HTTPSConnectionPool(host='optimade.materialscloud.org', port=443): Read timed out. (read timeout=100)


    ❌ https://optimade.materialscloud.org/archive/vg-ya/v1/structures?filter=_crazyprovider_field=2

    ResponseError: Failed to handle field from unknown provider; should return without affecting filter results