The interfacial enthalpy at 300 K was estimated for the interfacial models with various crystalline planes. The equilibrated system at 300 K comprises both crystalline and glassy phases. The interfacial model was fully equilibrated in an NPT ensemble at 300 K for 500 ps, starting from the initial structure. The interfacial enthalpy per unit area was calculated from the total enthalpy of the interface model (H total glass-ceramics ) by subtracting the enthalpy contributions from bulk β-Li 3 PS 4 and 75Li 2 S-25P 2 S 5 glass (H bulk crystal and H bulk glass ):