README.md

metadata

task_categories:
  - tabular-regression
language:
  - en
tags:
  - physics
  - chemistry
  - materials
  - ASE
  - Perovskites
pretty_name: AI4Materials Demo FAIR Perovskites
license: mit

AI4Materials Demo FAIR Perovskites

This is a teaching dataset demonstrating F.A.I.R. hosting on the Hugging Face Hub.
It contains a small table of oxide perovskites with band gaps and toy EXTXYZ structures.

Contents

• data/table.csv — main tabular data
• data/records.jsonl — line-delimited JSON mirror
• data/structures/*.xyz — example structures (EXTXYZ)
• metadata/schema.json — JSON Schema for validation
• CITATION.cff, LICENSE — citation & reuse terms

Provenance

Synthetic examples generated for classroom demonstration on {datetime.utcnow().date()}.

How to load

from datasets import load_dataset
ds = load_dataset("cparidaAI/fair_dataset_demo", data_files={"train": "data/table.csv"})
print(ds)

Or download a structure file:

from huggingface_hub import hf_hub_download
path = hf_hub_download(repo_id="cparidaAI/fair_dataset_demo", filename="data/structures/ABO3_0001.xyz")

License

MIT. Please cite using CITATION.cff.

F.A.I.R. checklist

• Findable: metadata, tags, README, (add DOI later via Zenodo)
• Accessible: public repo, open formats
• Interoperable: CSV/JSON/EXTXYZ, schema describes fields/units
• Reusable: license, clear citation, validation, examples