Datasetpublic

Scandium-Labs/Scandium-Dataset

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.

sourceHugging Facecc-by-4.0updated 2mo agoView on Hugging Face

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rootscripts

../

diraudit_reports/

fileaudit_dashboard.py6 KBdownload

fileaudit_investigate_critical.py4 KBdownload

fileaudit_phase1_raw_data.py7 KBdownload

fileaudit_phase2_structure.py8 KBdownload

fileaudit_phase3_property.py8 KBdownload

fileaudit_phase4_duplicates.py5 KBdownload

fileaudit_phase5_repair.py7 KBdownload