“…In general, the macroscopic crystal structure is determined by the fundamental motifs that construct the crystal. The functional building blocks (FBBs) used to construct NCS crystals mainly contain the following categories: (i) planar anionic groups with a π-conjugated system, including NO 3 – , CO 3 2– , BO 3 3– , and B 3 O 6 3– ; − (ii) d 0 transition metal (TM) cations with second-order Jahn–Teller (SOJT) distortion, such as V 5+ , Nb 5+ , Ta 5+ , Mo 6+ , and W 6+ ; − (iii) cations with stereochemically active lone electron pair, e.g., Pb 2+ , Bi 3+ , Se 4+ , Te 4+ , I 5+ , etc. − …”