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Dataset of quaternary alloys with computational Curie temperature and magnetization

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Zenodo2023-01-16 更新2026-05-26 收录
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<pre>A material dataset contains 990 equiatomic quaternary high-entropy alloys, which comprise $14$ transition metals {Ag, Cd, Co, Cr, Cu, Fe, Mn, Mo, Ni, Pd, Rh, Ru, Tc, Zn}, and the corresponding calculated magnetizations and Curie temperatures in the BCC phase. The dataset was collected from an original dataset of 147,630 equiatomic quaternary high-entropy alloys calculated using Korringa-Kohn-Rostoker coherent approximation method . Each alloy in the dataset is represented using 135 compositional descriptors, including the means, standard deviations, and covariance of the atomic representations of their constituent elements and four categorical features indicating the elements comprising the quaternary alloy. </pre>

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Zenodo
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2023-01-16
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