Dynamic Nanodomains Dictate Macroscopic Properties in Lead Halide Perovskites
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Data for Allegro ML models used in the paper "Dynamic nanodomains dictate macroscopic properties in lead halide perovskites" ( https://arxiv.org/abs/2404.14598 ) Datasets in extend xyz format, ma_set.xyz and fa_set.xyz for MAPbBr3 and FAPbBr3, respectively. Allegro models, ma_1.pth and fa_1.pth for MAPbBr3 and FAPbBr3, respectively. Nequip/Allegro config files. ma_config.yaml and fa_config.yaml for MAPbBr3 and FAPbBr3, respectively.
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Zenodo创建时间：
2025-05-12
