CSD

该数据集来自剑桥结构数据库，包含了可用于设计新型金属有机框架（MOFs）以实现碳捕获的1万个MOFs的结构信息。此外，该数据集还包含了详尽的结构数据，这为分析和设计具有特定碳捕获属性的新MOFs提供了可能。研究任务涉及计算设计金属有机框架（MOFs）用于二氧化碳捕获和电催化。

This dataset is derived from the Cambridge Structural Database, and contains structural information of 10,000 metal-organic frameworks (MOFs) that can be utilized for designing novel MOFs for carbon capture applications. Furthermore, the dataset includes comprehensive structural data, which facilitates the analysis and design of new MOFs with tailored carbon capture properties. The associated research tasks involve the computational design of MOFs for carbon dioxide capture and electrocatalysis.