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Structure, Topology and Predicted Properties for Stone-Wales graphene

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DataONE2024-02-29 更新2024-06-08 收录
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资源简介:

> 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. (article in peer review)

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2024-03-06
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