Structure, Topology and Predicted Properties for Stone-Wales graphene

The dataset has been published alongside our article "Topological Regulations of Stone-Wales Graphene" available at https://doi.org/10.1016/j.carbon.2024.119163 > 400+ Allotropes from Global Optimization > metric parameters, topological parameters > thermodynamic, electronic, and elastic properties from DFT calculations The structure and property database for the predicted SW-graphene’s is provided in the CSV format (which can be opened with Excel, Python PANDAS, etc.). The crystal structures are provided in the CIF column in the database table.