CGM-MLP natcomm2023 screening amorphous carbon train

2558 structures selected from the GAP-20 database. This dataset was one of the datasets used in testing screening parameters during the process of producing an active learning dataset for Cu-C interactions for the purposes of exploring substrate-catalyzed deposition as a means of controllable synthesis of carbon nanomaterials. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu(111) surface.

本数据集精选自 GAP-20 数据库中的 2558 个结构。该数据集系在构建针对 Cu-C 交互作用的主动学习数据集过程中，用于测试筛选参数之所需。此数据集旨在探索通过底物催化的沉积作为可控合成碳纳米材料的手段。综合数据集融合了 Carbon_GAP_20 数据集中的结构以及 Cu(111) 表面上碳簇的额外配置。