OneScience-Group/oxides
Oxides Dataset Description Oxides is derived from the oxide polymorph study published by Mehta, Salvador, and Kitchin in 2015. FAIR Chemistry provides the JSON data from the paper's supporting information with its fine-tuning tutorial. This repository extracts PBE/EOS/calculations from that data and standardizes it as ASE SQLite databases. The dataset covers five oxides—IrO2, RuO2, SnO2, TiO2, and VO2—across 30 oxide/polymorph groups. Each record contains a… See the full description on the dataset page: https://huggingface.co/datasets/OneScience-Group/oxides.
This repository belongs to OneScience-Group on Hugging Face.
Team Ai never edits a repository it does not host. Visibility, licence, collaborators and gating are all managed at the source.