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Extended ID DAS_MLIP_CoSb_MgSb_YangZhuDongWuYangZhang__DS_eyo7scxvrfq0_0
Description Approximately 850 configurations of CoSb3 and Mg3Sb2 generated using a dual adaptive sampling (DAS) method for use with machine learning of interatomic potentials (MLIP).
Authors Hongliang Yang
Yifan Zhu
Erting Dong
Yabei Wu
Jiong Yang
Wenqing Zhang
DOI 10.60732/d28a2c1d

Cite as: Yang, H., Zhu, Y., Dong, E., Wu, Y., Yang, J., and Zhang, W. "DAS MLIP CoSb MgSb." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Mg (47.02%)
Sb (52.98%)
Number of Data Objects 846
Number of Configurations 846
Number of Atoms 247,744
Configuration Sets by Name DAS_MLIP_CoSb_MgSb-CoSb — CoSb3 configurations from DAS_MLIP_CoSb_MgSb dataset
DAS_MLIP_CoSb_MgSb-MgSb — Mg3Sb2 configurations from DAS_MLIP_CoSb_MgSb dataset
Configuration Sets by ID CS_wnvmvh722umx_0
Data Objects
ColabFit ID DS_eyo7scxvrfq0_0
Files colabfitspec.json

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