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  ---
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- dataset_info:
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- features:
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- - name: prompt
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- dtype: string
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- - name: completion
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- dtype: string
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- - name: formula
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- dtype: string
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- - name: mpid
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- dtype: string
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- splits:
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- - name: train
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- num_bytes: 2489609
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- num_examples: 2692
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- - name: test
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- num_bytes: 622955
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- num_examples: 673
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- download_size: 976638
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- dataset_size: 3112564
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- configs:
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- - config_name: default
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- data_files:
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- - split: train
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- path: data/train-*
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- - split: test
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- path: data/test-*
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  ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
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+ license: cc-by-4.0
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+ task_categories:
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+ - tabular-classification
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+ tags:
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+ - materials-science
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+ - chemistry
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+ - crystallography
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+ size_categories:
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+ - 10K<n<100K
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
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+
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+ # Materials Science Crystal System Classification Dataset
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+
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+ Dataset for classifying crystal system (7 classes) from chemical formula.
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+
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+ ## Citation
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+
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+ ```bibtex
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+ @article{venugopal2026probing,
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+ title={Probing Materials Intelligence in LLMs: From Latent Embeddings to Reliable Predictions},
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+ author={Venugopal, Vineeth and Mahjoubi, Soroush and Olivetti, Elsa},
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+ year={2026}
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+ }
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+ ```