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CGM-MLP_natcomm2023_screening_amorphous_carbon_test

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DataCite Commons2024-03-28 更新2024-07-13 收录
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https://materials.colabfit.org/id/DS_wt0m3lxcdy52_0
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资源简介:
493 structures available from the GAP-20 database, excluding any structures present in the training set. 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.
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ColabFit
创建时间:
2024-03-28
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