colabfit/JARVIS_C2DB
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/JARVIS_C2DB
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资源简介：
JARVIS C2DB数据集是JARVIS数据库的一个子集，它包含了来自计算二维数据库（C2DB）的配置，这些配置涉及超过30种不同晶体结构的二维材料属性。该数据集旨在满足当前材料设计挑战，包含3520个独特的分子配置和17990个原子。数据集中的元素包括碲、钛、银等，性质包括能量、原子力、电子带隙和柯西应力等。
The JARVIS C2DB dataset is a subset of the JARVIS database, focusing on computational 2D materials. It contains configurations involving more than 30 different crystal structures of 2D materials. The dataset is designed to address current material design challenges, including 3520 unique molecular configurations and 17990 atoms. The elements included in the dataset range from Tellurium, Titanium, Silver, and others, with properties such as energy, atomic forces, electronic band gap, and Cauchy stress.
提供机构：
colabfit
