[15p-P06-1~15] 23 Joint Session N "Informatics" (Poster)

[15p-P06-6] The Influence of Difference in CIF Files of Ion Conductors on the Persistent Diagram

〇Michiko Yoshitake¹, Takahiro Nagata¹ (1.NIMS)

Keywords:

Lithiun ion conductors,persistent diagram,diffusion path

For high Li ion conductivity, diffusion path with low activation energy is important. Previously, we showed parsistent diagram (PD) can be useful for predicting if which structure can have low activation diffution path using CIF files supplied in Materials Project (MP). CIF files in MP are sometimes different from experimentally reported ones. In this presentation, PDs from MP-CIF and experimental CIF are compared.