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School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China,Department of Physics and Astronomy, and Nanoscale Science and Engineering Center, University of Georgia, Athens, GA 30602, USA,Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907, China;
School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China;
Department of Physics and Astronomy, and Nanoscale Science and Engineering Center, University of Georgia, Athens, GA 30602, USA;
Department of Physics and Astronomy, and Nanoscale Science and Engineering Center, University of Georgia, Athens, GA 30602, USA;
Magnesium nickel hydride; Density functional theory; Semiconductor; Electronic structure;
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