Zheng, Jiongzhi
Chang, Zheng
Lin, Changpeng
Lin, Chongjia
Zhou, Yanguang
Huang, Baoling
Guo, Ruiqiang
Hautier, Geoffroy
Funding for this research was provided by:
the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (DE-AC02-05-CH11231)
the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (DE-AC02-05-CH11231)
the Fundamental Research Fund for Zhejiang Ocean University (JX6311181423)
the Sinergia project of the Swiss National Science Foundation (CRSII5_189924)
the Science and Technology Planning Project of Guangdong Province, China (2017A050506053)
the Science and Technology Program of Guangzhou (201704030107)
the Hong Kong General Research Fund (16214217)
the Project of Hetao Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone (HZQB-KCZYB2020083)
the Excellent Young Scientists Fund (Overseas) of Shandong Province (2022HWYQ091)
the Initiative Research Fund of Shandong Institute of Advanced Technology (2020107R03)
Article History
Received: 1 August 2025
Accepted: 26 August 2025
First Online: 23 October 2025
Competing interests
: The Authors declare no Competing Financial or Non-Financial Interests. Prof. Geoffroy Hautier is an Editorial Board Member for npj Computational Materials and was not involved in the editorial review or the decision to publish this article.