Alexandria PBEsol Convex-Hull Only Database

Dataset identity

Stable URI

https://data.stage.matportal.org/id/dataset/alexandria-pbesol-convex-hull-only Open

Portal page

/datasets/alexandria-pbesol-convex-hull-only Open

RDF Turtle

https://data.stage.matportal.org/data/dataset/alexandria-pbesol-convex-hull-only.ttl Open

License

CC BY 4.0

Publisher

Alexandria Project

Published by

admin

Project

Not assigned

Version

2023.12.29

Identifier

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

What is available here?

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• Public source/documentation links for the external portal or repository.
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Related ontologies and catalogue context

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Indexed sources

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Graph-aware Q&A readiness

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Semantic dataset passport

Passport ID

alexandria-pbesol-convex-hull-only

DCAT

https://datagraph.stage.matportal.org/id/dataset/alexandria-pbesol-convex-hull-only

Review status

published

Semantic mirror manifest

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  "generated_at": "2026-08-10T17:47:43.856845+00:00",
  "raw_data_policy": "linked-only; no raw data copied by this package",
  "publication_boundary": "review artefact; downstream data-space publication remains governed",
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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_d86b89951946dd35",
  "slug": "alexandria-pbesol-convex-hull-only",
  "title": "Alexandria PBEsol Convex-Hull Only Database",
  "description": "Thermodynamic subset of the Alexandria PBEsol database containing ground-state energy, formation energy, and stability distance values relative to the convex hull. Excellent for fast phase stability checks.",
  "license": "CC BY 4.0",
  "creators": [
    "Alexandria Project",
    "ICAMS Ruhr University Bochum"
  ],
  "organization": "ICAMS",
  "project": "",
  "slice": "",
  "published_by": "admin",
  "groups": [],
  "keywords": [
    "convex hull",
    "phase stability",
    "DFT",
    "thermodynamic screening",
    "high-throughput"
  ],
  "tags": [
    "convex hull",
    "phase stability",
    "DFT",
    "thermodynamic screening",
    "high-throughput"
  ],
  "visibility": "public",
  "status": "published",
  "ontology_annotations": [],
  "categories": [
    "Computational Materials Science"
  ],
  "distributions": [
    {
      "title": "Alexandria PBEsol Convex Hull JSON File",
      "filename": "convex_hull_ps_2023.12.29.json.bz2",
      "description": "Compressed JSON database file containing the convex hull stability indices",
      "visibility": "public",
      "status": "published",
      "media_type": "application/x-bzip2",
      "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/convex_hull_ps_2023.12.29.json.bz2",
      "access_url": "https://alexandria.icams.rub.de/data/pbesol/",
      "uri": "https://datagraph.stage.matportal.org/id/distribution/alexandria-pbesol-convex-hull-only/resource_0ce407403e990b67",
      "url_type": "external",
      "rdf_format": null,
      "ontology_annotations": [],
      "data_dictionary": [],
      "views": [
        {
          "id": "",
          "title": "Download",
          "view_type": "download",
          "url": "",
          "embed_url": "",
          "embeddable": false,
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          "default": false,
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      "transform_provenance": {},
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      "dataset_slug": "alexandria-pbesol-convex-hull-only",
      "created_at": "2026-07-21T17:40:09.889510Z",
      "updated_at": "2026-07-21T17:40:09.889510Z"
    }
  ],
  "graph_ids": [],
  "entity_count": 0,
  "follower_count": 0,
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  "publisher": "Alexandria Project",
  "homepage": "https://alexandria.icams.rub.de/",
  "landing_page": "https://alexandria.icams.rub.de/datasets.html",
  "release_date": "2023-12-29",
  "modification_date": "",
  "version": "2023.12.29",
  "version_notes": "",
  "identifier": "https://alexandria.icams.rub.de/",
  "frequency": "",
  "provenance": "Metadata imported for MatPortal. Single JSON subset containing convex hull thermodynamics.",
  "dataset_type": "dataset",
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  "spatial_coverage": [],
  "spatial_resolution_meters": null,
  "access_rights": "open-access",
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  "language": [
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  "conforms_to": [],
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  "qualified_relations": [],
  "citation": "Schmidt, J. et al. (2021). The Alexandria database of machine-learning-ready datasets. ICAMS, Ruhr University Bochum.",
  "activity": [],
  "metadata": {
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  "created_at": "2026-07-21T17:40:09.889510Z",
  "updated_at": "2026-07-21T17:40:09.889510Z"
}