MAST-ML Education Datasets
收藏Figshare2018-08-28 更新2026-04-08 收录
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Three datasets to be used for educational purposes in association with the MASTML code package.<br>Each dataset is a materials property of interest and it's associated chemical composition.<br>The first dataset for dilute solute diffusion is trying to predict an effective diffusion barrier as calculated through DFT methods.<br>The second dataset for perovskite stability gives energies of each compostion relative to the convex hull, again as calculated through DFT. The perovskite dataset also includes columns with information about the A site, B site, and X site in the perovskite structure in order to perform more advanced grouping of the data.<br>The last dataset is a metallic glasses dataset which has values of reduced glass transition temperature (Trg) for a variety of metallic alloys. An additional column is included for majority element for each alloy, which can be an interesting property to group on during tests.
创建时间:
2018-08-28



