ICAR Research Data Repository for Knowledge Management
Structure, Topology and Predicted Properties for Stone-Wales graphene
Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)
View Archive Info| Field | Value | |
| Title |
Structure, Topology and Predicted Properties for Stone-Wales graphene
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| Identifier |
https://doi.org/10.7910/DVN/WYRS9H
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| Creator |
Chen, Mingyang
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| Publisher |
Harvard Dataverse
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| Description |
> 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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| Subject |
Chemistry
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| Date |
2024-02-29
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| Contributor |
Chen, Mingyang
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