10.60732/f340d1d9

URL

Metadata

CGM-MLP_natcomm2023_screening_amorphous_carbon_train Dataset

Di Zhang, Peiyun Yi, Xinmin Lai, Linfa Peng, Hao Li,
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.

Citation