Fig. 1: Heat map of synthetically accessible NASICONs predicted by DFT.

a Crystal structure of a rhombohedral NASICON showing the Na-ion conduction pathway. Two bottleneck triangles are denoted as T1 and T2. b High-throughput computation workflow. c Distribution of the 641 DFT calculated synthetically accessible NASICONs. The color map indicates the number of stable compounds containing a specific metal pair. The orange squares indicate blocks including NASICONs with Na₃ stoichiometry, and the grey squares mark blocks containing only sulfate-type NASICONs.