Table 1 Structure name, origination, the convex hull energy (E_hull), Li⁺ diffusivity and ionic conductivity for Li₈SiSe₆ structures with different space group and for Li₇SiSe₅Cl structure

Li₈SiSe₆_F\(\bar{4}\)3m

Ag₈SiS₆_F\(\bar{4}\)3m (icsd_605720)

181

2.73 × 10^–6 (300 K)

417.2 (300 K)

Li₈SiSe₆_Pna2₁

Ag₈SiS₆_Pna2₁ (icsd_001054)

7

2.65 × 10^–6 (400 K)

332.2 (400 K)

Li₈SiSe₆_Pmn2₁

Cu₈SiSe₆_Pmn2₁ (icsd_089451)

23

1.57 × 10^–6 (300 K)

261.3 (300 K)

Li₈SiSe₆_P6₃cm

Cu₈GeSe₆_P6₃cm (mp-570393)

27

1.38 × 10^–6 (300 K)

226.2 (300 K)

Li₈SiSe₆_Cc

Cu₈GeSe₆_Cc (mp-1225860)

11

1.26 × 10^–6 (400 K)

158.5 (400 K)

Li₈SiSe₆_hcp

Li₈SiO₆_hcp (mp-28549)

0

7.11 × 10^–8 (400 K)

−(400 K)

Li₇SiSe₅Cl

Li₇Zn_0.5SiS₆⁵³

44

1.66 × 10^–6 (300 K)

237.7 (300 K)