CGM-MLP natcomm2023 Cr-C deposition

Training simulations from CGM-MLP_natcomm2023 of carbon deposition on a Cr surface. This dataset was one of the datasets used in training during the process of producing an active learning dataset for the purposes of exploring substrate-catalyzed deposition on metal surfaces such as Cu(111), Cr(110), Ti(001), and oxygen-contaminated Cu(111) 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, Cr and Ti surfaces.

本数据集收录了CGM-MLP_natcomm2023关于碳在铬表面沉积的培训仿真。该数据集系在生成用于探索金属表面（如Cu(111)、Cr(110)、Ti(001)及氧污染的Cu(111)）基底催化的碳沉积过程，以实现碳纳米材料可控合成目的的主动学习数据集制作过程中所使用的多个数据集之一。该综合数据集融合了Carbon_GAP_20数据集的结构以及碳簇在铜、铬和钛表面上的额外配置。