X-ray diffraction phase prediction data
收藏arXiv2025-09-30 收录
下载链接:
https://github.com/maxnygma/NeuralXRD
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资源简介:
该数据集通过峰匹配技术获取,用于预测过渡金属及其氧化物的晶体结构相。此外,该数据集还用于训练多种算法,并使用精确度、召回率和F1分数等评价指标来评估这些算法的性能。该数据集的任务是对晶体结构相进行识别。
This dataset is acquired via peak matching techniques, and is used to predict the crystal structural phases of transition metals and their oxides. Furthermore, it is employed to train multiple algorithms and evaluate their performance using metrics including precision, recall, and F1-score. The task of this dataset is crystal structural phase recognition.



