colabfit/SAIT_semiconductors_ACS_2023_SiN_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_SiN_validation
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资源简介：
SAIT semiconductors ACS 2023 SiN验证数据集包含了来自SAIT semiconductors数据集的SiN、Si和N配置。SAIT semiconductors数据集由两个丰富的数据集组成，分别是用于开发机器学习力场（MLFFs）的重要半导体薄膜材料硅氮化物（SiN）和铪氧化物（HfO）。在包括不同的初始结构、化学计量比、温度、应变和缺陷的各种条件下进行了DFT模拟。数据集中的额外细节存储在以"dataset_"为前缀的列中。
Validation configurations from the SAIT_semiconductors_ACS_2023_SiN dataset. This dataset contains SiN, Si and N 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
