cathode
Datasets
All datasets matching “cathode”polyanion-sodium-cathode-dft
Polyanion Sodium-Ion Cathode Materials (DFT)
298,144 VASP structures for four polyanion Na-ion cathode families — olivine, maricite, silicate, and alluaudite — with transition metals Fe, Mn, Co, Ni.
Published in Scientific Data (2025) · Zenodo archive
Total structures
298,144
With Bader charges
113,532
Format
Extended XYZ (ASE-compatible)
Method
VASP 6.4, PBE+U
MD temperature
1000 K
Repository size
~2.6 GB (28 files)
Quick start
1.… See the full description on the dataset page: https://huggingface.co/datasets/Mahpe/polyanion-sodium-cathode-dft.calcium_ferrites_as_cathodes_ca4fe9o17
Cite this dataset Dompablo, M. E. A., and Casals, J. L. calcium ferrites as cathodes ca4fe9o17. ColabFit, 2024. https://doi.org/10.60732/c8fdee31
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_w59koijcczkz_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/calcium_ferrites_as_cathodes_ca4fe9o17.cathode_materials_for_rechargeable_Ca_batteries_CM2021
Cite this dataset Dompablo, M. E. A., and Casals, J. L. cathode materials for rechargeable Ca batteries CM2021. ColabFit, 2023. https://doi.org/10.60732/49ecd7c5
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_s00e64z80ujy_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/cathode_materials_for_rechargeable_Ca_batteries_CM2021.imnet1k_oscilloscope_scope_cathode-ray_oscilloscope_CROcathode-1
Dataset Card for "cathode-1"
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