First-principles investigation of the phase diagram and superconducting properties of the Sc–Mg–H system under high pressure

Zhen Qin, Wenqing Zhang, Shichang Li, Ying Chang, Chunbao Feng, Bole Chen and Dengfeng Li

Phys. Chem. Chem. Phys., 2025, 27, 10227
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Prediction of pressure-induced superconductivity in the ternary systems CaYH2n (n = 3–6) at moderate pressures

Jinghong Zhao, Bole Chen, Shichang Li, Ying Chang, Xu Yang, Mingyu Chen and Dengfeng Li

J. Mater. Chem. C, 2025, 13, 4128
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Prediction of pressure-induced superconductivity in the ternary systems YScH2n ( n=3 –6)

Lan-Ting Shi, Jian-Guo Si, Robin Turnbull, Akun Liang, Peng-Fei Liu and Bao-Tian Wang

Phys. Rev. B, 2024, 109
DOI: 10.1103/PhysRevB.109.054512

High-throughput calculation for superconductivity of sodalite-like clathrate ternary hydrides MXH12 at high pressure

Tiancheng Ma, Zihan Zhang, Mingyang Du, Zihao Huo, Wenxuan Chen, Fubo Tian, Defang Duan and Tian Cui

Materials Today Physics, 2023, 38, 101233
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Computational electron–phonon superconductivity: from theoretical physics to material science

Shiya Chen, Feng Zheng, Zhen Zhang, Shunqing Wu, Kai-Ming Ho, Vladimir Antropov and Yang Sun

J. Phys.: Condens. Matter, 2025, 37, 023002
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Superconductivity in ternary zirconium borohydrides under moderate or even ambient pressure

Xiangzhen Guan, Chuanzhao Zhang, Siheng Li, Yin Huang, Yuanyuan Jin, Meng Ju, Fangguang Kuang, Zaixiu Yang and Kaixiong Gao

Journal of Alloys and Compounds, 2026, 1050, 185740
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Prediction of High Critical Temperature Superconductors in Ternary Y-Hf-H System under High Pressure

Chao Deng, Min Wang, Siqi Guo, Hongyu Huang, Mingyang Du, Defang Duan, Hao Song and Tian Cui

Chinese Phys. Lett., 2025, 42, 070711
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Investigation on the mechanism of electronic structure and superconductivity of cubic X2BH6 at ambient pressure

Ya-Le Tao and Qi-Jun Liu

Materials Today Physics, 2025, 54, 101725
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Control of Van Hove Singularities in Ternary A15-Type Hydrides: Implications for High-Temperature Superconductivity

Haowen Jiang, Haoqi Chen, Xuehui Jiang, Mohan Gao, Jialin Wang, Chengyao Zhang, Jing Dong and Yanbin Ma

J. Phys. Chem. C, 2025, 129, 18659
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First-principles study on crystal structures and superconductivity of ternary metal hydride La-Sr-H under high pressure

Ling Chen, Qiwen Jiang, Zihan Zhang, Zhengtao Liu, Zihao Huo, Hao Ma, Shumin Guo, Shouwen Yang and Defang Duan

Microstructures, 2025, 5
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Design of high-temperature superconductors at moderate pressures by alloying AlH3 or GaH3

Xiaowei Liang, Xudong Wei, Eva Zurek, Aitor Bergara, Peifang Li, Guoying Gao and Yongjun Tian

Matter and Radiation at Extremes, 2024, 9
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Strategies for improving the superconductivity of hydrides under high pressure

Pengye Liu, Chang Wang, Daoyuan Zhang, Xiang Wang, Defang Duan, Zhao Liu and Tian Cui

J. Phys.: Condens. Matter, 2024, 36, 353001
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Prediction of potential high-temperature superconductivity in ternary Y–Hf–H compounds under high pressure

Yanqi Wang, Yuanyuan Jin, Fulong Yang, Jinquan Zhang, Chuanzhao Zhang, Fangguang Kuang, Meng Ju, Song Li and Shubo Cheng

Sci Rep, 2024, 14
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High temperature superconductivity of quaternary hydrides XM3Be4H32 (X, M = Ca, Sr, Ba, Y, La, Ac, Th) under moderate pressure

Wendi Zhao, Defang Duan, Decheng An, Qiwen Jiang, Zhengtao Liu, Tiancheng Ma, Zihao Huo, Jianhui Du and Tian Cui

Materials Today Physics, 2024, 43, 101387
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Prediction of high-temperature superconductors with Tc up to 214.3 K in Mg-Zr-H ternary hydrides

Yujie Wang, Kaige Hu and Min Pan

Materials Today Physics, 2025, 53, 101695
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Stability and superconductivity of ABH6 (A, B=Sc, Y, La, Ac) cubic structures under ambient pressure

Ya-Le Tao and Qi-Jun Liu

Applied Materials Today, 2025, 46, 102901
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High-temperature superconductivity in clathrate thorium-doped hexahydrides A1−xThxH6 ( A = La, Ac, and Y) at moderate pressure

Wenxuan Chen, Tiancheng Ma, Zihao Huo, Hongyu Yu, Tian Cui and Defang Duan

Phys. Rev. B, 2024, 109
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High‐Temperature Ternary Superhydrides: A Strategic Roadmap to Optimal Superconducting Parameters

Izabela A. Wrona, Paweł Niegodajew and Artur P. Durajski

Adv Funct Materials, 2025, 35
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Superconducting ternary hydrides: progress and challenges

Wendi Zhao, Xiaoli Huang, Zihan Zhang, Su Chen, Mingyang Du, Defang Duan and Tian Cui

National Science Review, 2024, 11
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Data-driven search for high-temperature superconductors in ternary hydrides under pressure

Bowen Jiang, Xiaoshan Luo, Ying Sun, Xin Zhong, Jian Lv, Yu Xie, Yanming Ma and Hanyu Liu

Phys. Rev. B, 2025, 111
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Predictions of high-temperature superconducting ternary hydrides under high pressure using density functional calculations

Bangshuai Zhu, Dexi Shao, Cuiying Pei, Qi Wang, Juefei Wu and Yanpeng Qi

Phys. Rev. B, 2025, 111
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High- Tc superconductors in the ternary Sr-Hf/Zr-H system at high pressure

Chao Deng, Min Wang, Hongyu Huang, Ming Xu, Wendi Zhao, Mingyang Du, Hao Song and Tian Cui

Phys. Rev. B, 2024, 109
DOI: 10.1103/PhysRevB.109.184516

Ternary Superconducting Hydrides TbNaH12 and Its Hydrogen Sublattice Symmetry Effect on Superconducting Critical Temperature

Qi Yan, Xiaotao Zhang, Jiao Chen, Yongliang Tang, Yuxiang Ni, Hongyan Wang, Zhen Liu and Yuanzheng Chen

J. Phys. Chem. C, 2024, 128, 21551
DOI: 10.1021/acs.jpcc.4c06172

Refining Tc Prediction in Hydrides via Symbolic‐Regression‐Enhanced Electron‐Localization‐Function‐Based Descriptors

Francesco Belli, Sean Torres, Julia Contreras‐García and Eva Zurek

Annalen der Physik, 2025, 537
DOI: 10.1002/andp.202500280