Accurate prediction of synthesizability and precursors of 3D crystal structures via large language models

Abstract Accessing the synthesizability of crystal structures is crucial for transforming theoretical materials into real-world applications. Nevertheless, there is a significant gap between actual synthesizability and thermodynamic or kinetic stability commonly used to screen synthesizable structur...

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Bibliographic Details
Main Authors: Zhilong Song, Shuaihua Lu, Minggang Ju, Qionghua Zhou, Jinlan Wang
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-61778-y
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