Download Dataset XYZ file

Name Cu_FHIaims_NPJCM_2021
Extended ID Cu_FHIaims_NPJCM_2021_LysogorskiyOordBochkarevMenonRinaldiHammerschmidtMrovecThompsonCsanyiOrtnerDrautz__DS_9ni8f0nskfk0_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 46,583
Number of Configurations 46,328
Number of Atoms 307,435
Configuration Sets by Name
Configuration Sets by ID
Data Objects Too many to display
ColabFit ID DS_9ni8f0nskfk0_0
Files colabfitspec.json

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