IEIs (Ion and Electron Insulators)

We would like to introduce three types of ion and electron insulators, i.e. Li-ion & electron insulators (LEIs), Na-ion & electron insulators (NEIs), and K-ion & electron insulators (KEIs), and provide a set of codes here to screen candidate materials from computational material database, Materials Project. The IEI materials are able to block the transport of multiple charge carriers (ions and electrons) and stay thermodynamically stable against specific alkali-metals. The screening workflows and usage of IEI materials in rechargeable solid-state Li/Na/K metal batteries are presented in the paper below.