Key Laboratory for Green Chemical Technology of Ministry of Education;
School of Chemical Engineering and Technology;
Tianjin University;
Tianjin 300072;
China;
State Key Laboratory of Organic-Inorganic Composites;
Beijing University of Chemical Technology;
Beijing 100029;
China;
College of Chemistry;
Chemical Engineering and Environment Engineering;
Liaoning Shihua University;
Fushun 113001;
China;
Mg ion battery; FePS 3; Density functional theory; Anode material;