Fig. 2: Defect, binding energy and hardness testing of pseudohalide–MFPs.

a Defect formation energy of pseudohalide–MFPs. b Visualization map of the distribution of the interactions and the 2D fingerprint plots of (MDABCOBr)-NH4(BF4)3. c Calculated binding energies between MDABCOBr2+-NH4(BF4)6, MDABCOCl2+-NH4(BF4)6, and MDABCO2+-NH4(BF4)6. d The Coulomb interactions of pseudohalide–MFPs. e 1H NMR spectra of pseudohalide–MFPs. f Load-force-dependent indentation depth curve of different pseudohalide–MFPs. g Hardness and Modulus comparison of different pseudohalide–MFPs.