colabfit/SAIT_semiconductors_ACS_2023_SiN_test
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_test
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资源简介：
SAIT semiconductors ACS 2023 SiN测试数据集包含了从SAIT semiconductors数据集中提取的SiN、Si和N的配置。这些数据集是为了开发机器学习力场（MLFFs）而收集的两种重要的半导体薄膜材料——氮化硅（SiN）和氧化铪（HfO）的丰富数据集。在不同的初始结构、化学计量数、温度、应变和缺陷条件下进行了DFT模拟。数据集中的额外详细信息存储在以“dataset_”为前缀的列中。
The SAIT semiconductors ACS 2023 SiN test dataset contains configurations of SiN, Si, and N extracted from the SAIT semiconductors datasets. These datasets were gathered for the development of machine learning force fields (MLFFs) for two important semiconductor thin film materials—silicon nitride (SiN) and hafnium oxide (HfO). DFT simulations were conducted under various conditions including different initial structures, stoichiometries, temperatures, strains, and defects. Additional details are stored in columns prefixed with dataset_.
提供机构：
colabfit
