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Name calcium_ferrites_as_cathodes_ca4fe9o17
Extended ID calcium_ferrites_as_cathodes_ca4fe9o17_DompabloCasals__DS_w59koijcczkz_0
Description Dataset for "Appraisal of calcium ferrites as cathodes for calcium rechargeable batteries: DFT, synthesis, characterization and electrochemistry of Ca4Fe9O17" created to explore Fe-based cathode materials for Ca-ion batteries. Structures include CaFe(2+n)O(4+n), where 0 < n < 3.
Authors M. Elena Arroyo-de Dompablo
José Luis Casals
DOI 10.60732/c8fdee31

Cite as: Dompablo, M. E. A., and Casals, J. L. "calcium ferrites as cathodes ca4fe9o17." ColabFit, 2024.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Ca (12.76%)
Fe (30.35%)
O (56.89%)
Number of Data Objects 345
Number of Configurations 345
Number of Atoms 35,462
Configuration Sets by Name calcium_ferrites_as_cathodes_ca4fe9o17_Ca4Fe9O17 — Configurations of Ca4Fe9O17 from calcium_ferrites_as_cathodes_ca4fe9o17 dataset
calcium_ferrites_as_cathodes_ca4fe9o17_CaFe2O4 — Configurations of CaFe2O4 from calcium_ferrites_as_cathodes_ca4fe9o17 dataset
calcium_ferrites_as_cathodes_ca4fe9o17_CaFe3O5 — Configurations of CaFe3O5 from calcium_ferrites_as_cathodes_ca4fe9o17 dataset
calcium_ferrites_as_cathodes_ca4fe9o17_CaFe4O6 — Configurations of CaFe4O6 from calcium_ferrites_as_cathodes_ca4fe9o17 dataset
Configuration Sets by ID CS_5obkyviuuoe8_0
Data Objects
ColabFit ID DS_w59koijcczkz_0
Files colabfitspec.json

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