Dataset

Cu_FHI-aims_NPJCM_2021



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Name Cu_FHI-aims_NPJCM_2021
Extended ID Cu_FHI-aims_NPJCM_2021_LysogorskiyOordBochkarevMenonRinaldiHammerschmidtMrovecThompsonCsanyiOrtnerDrautz__DS_39v8vn61tlzl_0
Description Approximately 46,000 configurations of copper, including small and bulk structures, surfaces, interfaces, point defects, and randomly modified variants. Also includes structures with displaced or missing atoms.
Authors Yury Lysogorskiy
Cas van der Oord
Anton Bochkarev
Sarath Menon
Matteo Rinaldi
Thomas Hammerschmidt
Matous Mrovec
Aidan Thompson
Gábor Csányi
Christoph Ortner
Ralf Drautz
Elements Cu (100.0%)
Number of Data Objects 46,328
Number of Configurations 46,583
Number of Atoms 308,679
Links https://doi.org/10.1038/s41524-021-00559-9
https://doi.org/10.5281/zenodo.4734035
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_39v8vn61tlzl_0
Files colabfitspec.json

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