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README.md
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If you use this dataset in your research, please cite **all** the following works:
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```bibtex
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@article{jain2020materials,
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title={The materials project: Accelerating materials design through theory-driven data and tools},
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author={Jain, Anubhav and Montoya, Joseph and Dwaraknath, Shyam and Zimmermann, Nils ER and Dagdelen, John and Horton, Matthew and Huck, Patrick and Winston, Donny and Cholia, Shreyas and Ong, Shyue Ping and others},
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journal={Handbook of Materials Modeling: Methods: Theory and Modeling},
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pages={1751--1784},
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year={2020},
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publisher={Springer}
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}
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@article{binsimxrd,
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title={SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark},
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author={Cao, Bin and Liu, Yang and Zheng, Zinan and Tan, Ruifeng and Li, Jia and Zhang, Tong-yi},
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booktitle={The Thirteenth International Conference on Learning Representations}
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}
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@article{cao2025beyond,
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title={Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction},
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author={Cao, Bin and Liu, Yang and Zhang, Longhan and Wu, Yifan and Li, Zhixun and Luo, Yuyu and Cheng, Hong and Ren, Yang and Zhang, Tong-Yi},
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booktitle={The Thirteenth International Conference on Learning Representations},
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year={2026}
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}
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```
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If you use this dataset in your research, please cite **all** the following works:
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```bibtex
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@article{cao2025beyond,
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title={Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction},
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author={Cao, Bin and Liu, Yang and Zhang, Longhan and Wu, Yifan and Li, Zhixun and Luo, Yuyu and Cheng, Hong and Ren, Yang and Zhang, Tong-Yi},
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booktitle={The Thirteenth International Conference on Learning Representations},
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year={2026}
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}
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```
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