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albertvillanova/carbon_24

Dataset Card for Carbon-24 Dataset Summary Carbon-24 contains 10k carbon materials, which share the same composition, but have different structures. There is 1 element and the materials have 6 - 24 atoms in the unit cells. Carbon-24 includes various carbon structures obtained via ab initio random structure searching (AIRSS) (Pickard & Needs, 2006; 2011) performed at 10 GPa. The original dataset includes 101529 carbon structures, and we selected the 10% of the… See the full description on the dataset page: https://huggingface.co/datasets/albertvillanova/carbon_24.

Author / organizationalbertvillanova
License (as declared)mit
Downloads249 (as reported by Hugging Face)
Likes1
Created2 March 2022
Last updated at source24 October 2022
material-property-optimizationmaterial-reconstructionmaterial-generation
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  • 16 Oct 2026 Description: Dataset Card for Carbon-24 Dataset Summary Carbon-24 contains 10k carbon materials, which share the same composition, but have different structures. There is 1 element and the materials have 6 - 24 atoms in the unit cells. Carbon-24 include → Dataset Card for Carbon-24 Dataset Summary Carbon-24 contains 10k carbon materials, which share the same composition, but have different structures. There is 1 element and the materials have 6 - 24 atoms in the unit cells. Carbon-24 include

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