colabfit/SAIT_semiconductors_ACS_2023_HfO_validation
收藏Hugging Face2025-04-01 更新2025-04-12 收录
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https://hf-mirror.com/datasets/colabfit/SAIT_semiconductors_ACS_2023_HfO_validation
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资源简介：
SAIT半导体ACS 2023 HfO验证数据集包含了来自SAIT半导体数据集的HfO配置。SAIT半导体数据集包括两个丰富的数据集，分别是重要的半导体薄膜材料氮化硅(SiN)和氧化铪(HfO)，这些数据集是为了发展机器学习力场(MLFFs)而收集的。在不同的条件下进行了DFT模拟，包括不同的初始结构、化学计量比、温度、应变和缺陷。数据集中的额外详细信息存储在以"dataset_"为前缀的列中。
Validation configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the SAIT semiconductors datasets. SAIT semiconductors datasets comprise two rich datasets for the important semiconductor thin film materials silicon nitride (SiN) and hafnium oxide (HfO), gathered for the development of MLFFs. DFT simulations were conducted under various conditions that include differing initial structures, stoichiometry, temperature, strain, and defects. Additional details stored in dataset columns prepended with "dataset_".
提供机构：
colabfit
