datasets
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oqmd
Dataset Details
Dataset Description
Open Quantum Materials Database (OQMD) is a database of DFT-computed thermodynamic and structural properties of materials.
We used a compilation of a prior version of this database.
Curated by:
License: CC-BY 4.0
Dataset Sources
raw data source
Citation
BibTeX:
@article{yamamoto2019crystal,
title={Crystal graph neural networks for data mining in materials science},
author={Yamamoto, Takenori}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/oqmd.JARVIS_OQMD_no_CFID
Cite this dataset Kirklin, S., Saal, J. E., Meredig, B., Thompson, A., Doak, J. W., Aykol, M., Rühl, S., and Wolverton, C. JARVIS OQMD no CFID. ColabFit, 2023. https://doi.org/10.60732/82cb32aa
This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange:
https://materials.colabfit.org/id/DS_untxw8nljf92_0
Visit the ColabFit Exchange to search additional datasets by author, description… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/JARVIS_OQMD_no_CFID.oqmdJARVIS_CFID_OQMD
Cite this dataset Kirklin, S., Saal, J. E., Meredig, B., Thompson, A., Doak, J. W., Aykol, M., Rühl, S., and Wolverton, C. JARVIS CFID OQMD. ColabFit, 2023. https://doi.org/10.60732/967596c1
This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange:
https://materials.colabfit.org/id/DS_u8strp7hm0cy_0
Visit the ColabFit Exchange to search additional datasets by author, description… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/JARVIS_CFID_OQMD.oqmdchemnlp-oqmdoqmd_graph_idsfoundry_oqmd_band_gaps_v1-1