Recently, electrides have received great attention because of their unique electronic, structural, and electron-phonon coupling behaviors, which are mainly attributed to the localizations of nonbound electrons at crystalline interstitial regions. Here, we propose several stable exotic Li-In compounds under pressures based on the crystal structure predictions and first-principles calculations. We identify a ${\mathrm{Li}}_7\mathrm{In}$ compound with electride characters, which transitions from a metallic state into an insulating state with increasing pressure due to the orbital overlapping and electron localization. ${\mathrm{Li}}_7\mathrm{In}$ is also calculated to have a superconducting transition temperature of 7.33 K at 60 GPa. Moreover, superionic states are found in ${\mathrm{Li}}_4\mathrm{In}$ and ${\mathrm{Li}}_7\mathrm{In}$ at high temperatures with diffused lithium atoms. It is remarkable to observe the coexistence behavior of superconducting, insulating, and superionic states within a single electride system. Our results enrich the high-pressure phase diagram of Li-In alloys and provide theoretical support for subsequent experiments.

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• Electrical properties
• Phase diagrams
• Phase transitions
• Pressure effects
• Structural properties
• Superconductivity
• Crystal structures
• Semiconductors
• Superconductors
• BCS theory
• Band structure methods
• Density functional theory
• First-principles calculations
• Methods in superconductivity