Alexandria PBEsol Complete Database

Dataset identity

Stable URI

https://data.stage.matportal.org/id/dataset/alexandria-pbesol-complete Open

Portal page

/datasets/alexandria-pbesol-complete Open

RDF Turtle

https://data.stage.matportal.org/data/dataset/alexandria-pbesol-complete.ttl Open

License

CC BY 4.0

Publisher

Alexandria Project

Published by

admin

Project

Not assigned

Version

2025.07

Identifier

https://alexandria.icams.rub.de/

What is available here?

• A stable MatPortal dataset identifier and machine-readable metadata.
• Public source/documentation links for the external portal or repository.
• No MatPortal-hosted RDF graph, RDF resources, GraphRAG evidence, or SPARQL graph query yet.

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Related ontologies and catalogue context

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RDF resources

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Indexed sources

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Query this dataset

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Graph-aware Q&A readiness

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Semantic dataset passport

Passport ID

alexandria-pbesol-complete

DCAT

https://datagraph.stage.matportal.org/id/dataset/alexandria-pbesol-complete

Review status

published

Semantic mirror manifest

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    "matportal": "https://w3id.org/matportal/schema#"
  },
  "id": "https://datagraph.stage.matportal.org/api/v1/datasets/alexandria-pbesol-complete/mirror-package",
  "type": "matportal:SemanticMirrorPackage",
  "dataset": "https://datagraph.stage.matportal.org/datasets/alexandria-pbesol-complete",
  "dataset_slug": "alexandria-pbesol-complete",
  "generated_at": "2026-08-11T19:33:22.653362+00:00",
  "raw_data_policy": "linked-only; no raw data copied by this package",
  "publication_boundary": "review artefact; downstream data-space publication remains governed",
  "contains": [
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    "datacite-style-metadata",
    "ro-crate-metadata",
    "ckan-package-json",
    "edc-asset-json",
    "aas-submodel-semantic-ids",
    "sssom-mapping-snapshot",
    "shacl-shape-scaffold",
    "review-record"
  ],
  "counts": {
    "resources": 1,
    "graphs": 0,
    "indexed_entities": 0,
    "mappings": 0,
    "unit_fields_checked": 0
  },
  "source_authority": "MatPortal dataset metadata and linked external providers remain authoritative; connector cards preserve source links."
}

Material identity crosswalk

No public material identity crosswalk entries are linked to this dataset yet.

Machine access

• Dataset Turtle
• Dataset identifier
• Schema.org JSON-LD
• Catalogue JSON-LD
• Source / documentation
• Source / documentation

Raw public metadata

{
  "id": "dataset_157891482759cb5f",
  "slug": "alexandria-pbesol-complete",
  "title": "Alexandria PBEsol Complete Database",
  "description": "Database of ground-state properties of 3D materials computed using Density Functional Theory with the PBEsol functional. Complements PBE datasets with distinct exchange-correlation treatment.",
  "license": "CC BY 4.0",
  "creators": [
    "Alexandria Project",
    "ICAMS Ruhr University Bochum"
  ],
  "organization": "ICAMS",
  "project": "",
  "slice": "",
  "published_by": "admin",
  "groups": [],
  "keywords": [
    "DFT",
    "PBEsol",
    "crystal structures",
    "high-throughput",
    "convex hull"
  ],
  "tags": [
    "DFT",
    "PBEsol",
    "crystal structures",
    "high-throughput",
    "convex hull"
  ],
  "visibility": "public",
  "status": "published",
  "ontology_annotations": [],
  "categories": [
    "Computational Materials Science"
  ],
  "distributions": [
    {
      "title": "Alexandria PBEsol 3D Directory Index",
      "filename": "pbesol-complete",
      "description": "Directory index containing sharded json.bz2 files for the complete PBEsol database",
      "visibility": "public",
      "status": "published",
      "media_type": "text/html",
      "format": "JSON",
      "checksum_sha256": "",
      "size_bytes": 0,
      "source_uri": "https://alexandria.icams.rub.de/data/pbesol/",
      "download_url": "https://alexandria.icams.rub.de/data/pbesol/",
      "access_url": "https://alexandria.icams.rub.de/data/pbesol/",
      "uri": "https://datagraph.stage.matportal.org/id/distribution/alexandria-pbesol-complete/resource_4ee844d638348450",
      "url_type": "external",
      "rdf_format": null,
      "ontology_annotations": [],
      "data_dictionary": [],
      "views": [
        {
          "id": "",
          "title": "Download",
          "view_type": "download",
          "url": "",
          "embed_url": "",
          "embeddable": false,
          "description": "",
          "default": false,
          "config": {}
        }
      ],
      "datastore_active": false,
      "datastore_enabled": false,
      "has_views": false,
      "mapping_supported": false,
      "query_supported": false,
      "transform_provenance": {},
      "id": "resource_4ee844d638348450",
      "dataset_slug": "alexandria-pbesol-complete",
      "created_at": "2026-07-21T17:40:09.889510Z",
      "updated_at": "2026-07-21T17:40:09.889510Z"
    }
  ],
  "graph_ids": [],
  "entity_count": 0,
  "follower_count": 0,
  "contact_points": [],
  "publisher": "Alexandria Project",
  "homepage": "https://alexandria.icams.rub.de/",
  "landing_page": "https://alexandria.icams.rub.de/datasets.html",
  "release_date": "2025-07-02",
  "modification_date": "",
  "version": "2025.07",
  "version_notes": "",
  "identifier": "https://alexandria.icams.rub.de/",
  "frequency": "",
  "provenance": "Metadata imported for MatPortal. Directory index containing sharded json.bz2 database files.",
  "dataset_type": "dataset",
  "temporal_coverage": [],
  "temporal_resolution": "",
  "spatial_coverage": [],
  "spatial_resolution_meters": null,
  "access_rights": "open-access",
  "other_identifiers": [],
  "theme": [],
  "language": [
    "en"
  ],
  "documentation": [
    "https://alexandria.icams.rub.de/datasets.html"
  ],
  "conforms_to": [],
  "is_referenced_by": [],
  "applicable_legislation": [],
  "has_version": [],
  "qualified_relations": [],
  "citation": "Schmidt, J. et al. (2021). The Alexandria database of machine-learning-ready datasets. ICAMS, Ruhr University Bochum.",
  "activity": [],
  "metadata": {
    "publisher": "",
    "published_by": "",
    "contact_points": [],
    "homepage": "",
    "landing_page": "",
    "release_date": "",
    "modification_date": "",
    "version": "",
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    "provenance": "",
    "type": "",
    "temporal_coverage": "",
    "temporal_resolution": "",
    "spatial_coverage": "",
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    "access_rights": "",
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    "qualified_relation": [],
    "qualified_attribution": [],
    "extras": {}
  },
  "created_at": "2026-07-21T17:40:09.889510Z",
  "updated_at": "2026-07-21T17:40:09.889510Z"
}