High-Temperature Superconductivity in Li₂YH₆ Driven by Li Doping and a Specific Hydrogen-Cage Structure under High Pressures

Key Points

• To explore the superconducting properties of Li₂YH₆ and its stability under high pressure.
• Computed the likely phase of Li₂YH₆ using theoretical models under pressures of 130–180 GPa.
• Evaluated its structural stability and superconducting characteristics in the I4/mmm phase.
• Li₂YH₆ is predicted to be stable in the I4/mmm phase under high pressures.
• High-temperature superconductivity is anticipated due to lithium doping and configuration of hydrogen cages.