Dataset · Hugging Face

Scandium-Labs/Scandium-Dataset

Name: Scandium-Dataset
Creator: Scandium-Labs
License: cc-by-4.0
Keywords: task_categories:other, language:en, license:cc-by-4.0, size_categories:100K<n<1M, format:parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, region:us, dft, materials-project, oqmd

Dataset Card — Scandium-Dataset v1.0.0 Summary Scandium-Dataset provides a harmonized, quality-scored foundation of DFT-computed structural and thermodynamic properties across 267,230 materials from Materials Project, OQMD, and JARVIS-DFT. It supports the early screening stage of battery materials discovery — filtering by phase stability, electronic structure, and structural family — before downstream property prediction (ionic conductivity, mechanical stability… See the full description on the dataset page: https://huggingface.co/datasets/Scandium-Labs/Scandium-Dataset.

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Author / organization	Scandium-Labs
License (as declared)	cc-by-4.0
Downloads	1.9K (as reported by Hugging Face)
Likes	2
Created	21 July 2026
Last updated at source	7 August 2026

dftmaterials-projectoqmdjarvismaterials-screeningdft-stabilityparquetmaterials-sciencebattery-materialsinorganic-materials

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