Two dimensions of the 75Li 2 S-25P 2 S 5 glass cell were adjusted during equilibration at 3000 K to match the crystalline planes of β-Li 3 PS 4 while maintaining the experimental density. This ensured the seamless joining of bulk β-Li 3 PS 4 and 75Li 2 S-25P 2 S 5 glass. After resizing, the molten 75Li 2 S-25P 2 S 5 glass was cooled to 300 K at a rate of 1 K/ps in the NVT ensemble. Equilibration was performed for 100 ps at 300 K, and the final structure was sampled as bulk 75Li 2 S-25P 2 S 5 glass. The interfacial models were constructed by aligning equilibrated bulk 75Li 2 S-25P 2 S 5 glass and β-Li 3 PS 4 with a 3 Å vacuum layer placed between them, as shown in Fig. .