Magnesium-Based Hydride Superconductor Mg ₇ LiH with T _c ∼ 59 K under Ambient Pressure

Ambient-pressure high-temperature superconductivity in low-hydrogen compounds paves the way for superconducting devices to operate without extreme conditions. This study introduces a light-element doping strategy, successfully designing the low-hydrogen, metal-bonded layered superconductor Mg 7 LiH. This material demonstrates superconductivity with a superconducting transition temperature ( T c ) of 59 K and a H c of 8864 Oe under ambient pressure while maintaining excellent ductility. Hydrogen atoms dominate the electron–phonon coupling (EPC) mechanism governing T c . Compared with (Mg 4 ) 2 H, Mg 7 LiH exhibits superior superconductivity, which arises from Li-induced charge transfer, elevated electronic density of states (DOS) at the Fermi level, and improved Fermi surface nesting. This work not only validates light-element doping as an effective approach to tune superconducting properties in low-hydrogen hydrides but also provides theoretical guidance for experimentally synthesizing high-performance superconductors at ambient pressure.