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    Superconductivity in atom-intercalated quaternary hydrides under ambient pressure

    Bo-Wen Yao1,2,*, Zhenfeng Ouyang1,2,*, Xiao-Qi Han1,2,*, Chang-Jiang Wu1,2, Peng-Jie Guo1,2, Ze-Feng Gao1,2,†, and Zhong-Yi Lu1,2,3,‡

    • 1School of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devices, Renmin University of China, Beijing 100872, China
    • 2Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education), Renmin University of China, Beijing 100872, China
    • 3Hefei National Laboratory, Hefei 230088, China

    • *These authors contributed equally to this work.
    • †Contact author: zfgao@ruc.edu.cn
    • ‡Contact author: zlu@ruc.edu.cn

    Phys. Rev. B 113, 094509 – Published 12 March, 2026

    DOI: https://doi.org/10.1103/rltl-vgzj

    Abstract

    Multinary hydrides offer great promise for achieving high-temperature conventional superconductivity under ambient pressure. However, the rich variety of structural configurations in hydrides poses a formidable challenge for searching their immense phase space. In this work, we used our developed artificial intelligence (AI) search engine (InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. We assessed the thermodynamic stability of hydrides by our AI model. For K2GaCuH6, the AI-predicted formation energy difference along the synthesis path is 0.146 eV/atom, closely matching the density functional theory result of 0.137 eV/atom. This agreement confirms the thermodynamic stability of hydrides and validates the reliability of AI method. Several quaternary hydrides with high superconducting temperature (Tc) are predicted. In particular, the superconducting Tc of K2GaCuH6 and K2LiCuH6 are calculated to be 68 and 53 K under ambient pressure, respectively, which shows a significant enhancement in comparison with that of K2CuH6 (Tc∼18K). We also find that intercalating atoms could cause phonon softening and induce more phonon modes with strong electron-phonon coupling. Hence, we propose that intercalating atoms is a feasible approach in searching for superconducting quaternary hydrides.

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