Dataset Viewer
id
string | hash
string | last_modified
timestamp[ns] | dataset_ids
list | chemical_formula_hill
string | chemical_formula_reduced
string | chemical_formula_anonymous
string | elements
list | elements_ratios
list | atomic_numbers
list | nsites
int32 | nelements
int32 | nperiodic_dimensions
int32 | cell
list | dimension_types
list | pbc
list | names
list | labels
list | metadata_id
string | metadata_path
string | metadata_size
int32 | structure_hash
string | positions_00
list |
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CO_6194752331974624511730859
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| 2025-05-14T22:54:03 | null |
C12
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C
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[
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[
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CO_8406496279741116600897083
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| 2025-05-14T22:54:03 | null |
C6
|
C
|
A
|
[
"C"
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[
1
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[
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[
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[
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[
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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_withenantiomorphs has been cultivated from carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1).
carbon-24_new_withenants.parquet: 4,330 entries of unique carbon structures, where enantiomorphs are treated as distinct.
Additional information about enantiomorphs has been added to the metadata column for structures which are enantiomorph pairs, indicating the index of the respective pair.
The 'supplemental' folder contain a map of material IDs from the original dataset at https://github.com/txie-93/cdvae.
License
CC-BY-4.0
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