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End of preview. Expand
in Data Studio
Dataset Name
Carbon-24 Unique with Enantiomorphs
Citation
Please cite Martirossyan et al. (https://arxiv.org/abs/2509.12178) if your work utilizes this dataset.
Description
This dataset is a companion dataset to Carbon-24 Unique, containing enantiomorph pairs discovered within the Carbon-24 dataset. Carbon-24_Unique_with_Enantiomorphs has been cultivated from Carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1). Contains 4,330 entries of unique carbon structures, where enantiomorphs are treated as distinct. The metadata column indicates the index of the respective enantiomorph pair, if any, as well as the original id from Carbon-24.
Dataset authors
Maya M. Martirossyan, Thomas Egg, Philipp Hoellmer, George Karypis, Mark Transtrum, Adrian Roitberg, Mingjie Liu, Richard G. Hennig, Ellad B. Tadmor, Stefano Martiniani
Publication
https://doi.org/10.48550/arXiv.2509.12178
License
CC-BY-4.0
Number of unique molecular configurations
4330
Number of atoms
48260
Elements included
C
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