遇见数据集

Crystal-structure matches for the B1-B2 and graphite-to-diamond transitions enumerated by Crystmatch

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Zenodo2025-09-08 更新2026-05-29 收录
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This dataset contains all the crystal-structure matches (CSMs) in Figures 9–14 of the paper Classification and enumeration of solid-solid phase transition mechanisms. Each sublattice match (SLM) is stored as its integer-matrix triplet (IMT) representation. Each CSM is stored as an SLM index and a permutation and classwise translations (PCT). One can read the `.npz` files using numpy and analyze them using crystmatch.

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Zenodo
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2025-09-08
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