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README.md
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---
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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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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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# Materials Science Crystal System Classification Dataset
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Dataset for classifying crystal system (7 classes) from chemical formula.
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## Citation
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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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```
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