Thursday, 30 July 2020

"A Database of Ionic Transport Characteristics for Over 29 000 Inorganic Compounds" Liwen Zhang, Bing He, Qian Zhao, Zheyi Zou, Shuting Chi, Penghui Mi, Anjiang Ye, Yajie Li, Da Wang, Maxim Avdeev, Stefan Adams, and Siqi Shi Advanced Functional Materials, 2020, 2003087

New materials database consisting of > 29,000 inorganic compounds is available at the web-site: In particular, the database contains ion conduction properties and conduction pathways for Li+, Na+, K+, Ag+, Cu+, Mg2+, Zn2+, Ca2+, Al3+, F-, O2- and so on The evaluation has been carried out by structure analysis based on voronoi tessellation and bond valence site energy (BVSE) calculations. Besides, the database offers descriptors for machine learning techniques. The database will contribute largely for the development and discovery for fast ion conductors.

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