Dataset

Sn-SCAN_PRM_2023


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Name Sn-SCAN_PRM_2023
Extended ID Sn-SCAN_PRM_2023__Chen-Yuan-Liu-Geng-Zhang-Wang-Chen__DS_h1i3plesx7bc_0
Description Approximately 6,500 configurations of Sn, including Sn8, Sn16 and Sn32, used in developing a deep potential that predicts the phase diagram of Sn.
Authors Tao Chen
Fengbo Yuan
Jianchuan Liu
Huayun Geng
Linfeng Zhang
Han Wang
Mohan Chen
DOI 10.60732/7d8a06fe
https://commons.datacite.org/doi.org/10.60732/7d8a06fe
https://doi.datacite.org/dois/10.60732%2F7d8a06fe
https://doi.org/10.60732/7d8a06fe

Cite as: Chen, T., Yuan, F., Liu, J., Geng, H., Zhang, L., Wang, H., and Chen, M. "Sn-SCAN PRM 2023." ColabFit, 2023. https://doi.org/10.60732/7d8a06fe.
For other citation formats, see the DataCite Fabrica page for this dataset.
Calculated Property Types atomic_forces
cauchy_stress
energy
Elements Sn (100.0%)
Number of Configurations 6,721
Number of Atoms 113,584
Links https://www.aissquare.com/datasets/detail?pageType=datasets&name=Sn-SCAN
https://doi.org/10.1103/PhysRevMaterials.7.053603
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Calculated Properties
ColabFit ID DS_h1i3plesx7bc_0
Files colabfitspec.json

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