colabfit/calcium_ferrites_as_cathodes_ca4fe9o17
收藏Hugging Face2025-04-01 更新2025-04-12 收录
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https://hf-mirror.com/datasets/colabfit/calcium_ferrites_as_cathodes_ca4fe9o17
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资源简介：
该数据集名为钙铁石作为钙充电电池阴极材料Ca4Fe9O17，用于研究铁基阴极材料在钙离子电池中的应用。数据集包含CaFe(2+n)O(4+n)结构的分子配置，其中0 < n < 3。数据集包括能量、原子力和柯西应力等属性。
The dataset named calcium ferrites as cathodes ca4fe9o17 is created to explore Fe-based cathode materials for Ca-ion batteries. It contains molecular configurations of CaFe(2+n)O(4+n) structures, where 0 < n < 3. The dataset includes properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
