Dataset
Cu_FHIaims_NPJCM_2021
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 |
| Links |
https://doi.org/10.5281/zenodo.4734035 https://doi.org/10.1038/s41524-021-00559-9 |
| 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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