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Designing and synthesizing more advanced high-energetic materials for practical use via a simple synthetic route are two of the most important issues for the development of energetic materials.Through an elaborate design and rationally selected molecular components,two new metal-free hexagonal perovskite compounds,which are named as DAP-6 and DAP-7 with a general formula of(H2dabco)B(ClO4)3(H2dabco2+ = 1,4-diazabicyclo[2.2.2]octane-1,4-diium),were fabricated via an easily scaled-up synthetic route using NH3OH+ and NH2NH3+ as B-site cations,respectively.Compared with their NH4+ analog((H2dabcoXNH4)(C1O4)3;DAP-4),which has a cubic perovskite structure,DAP-6 and DAP-7 have higher crystal densities and enthalpies of formation,thus exhibiting higher calculated detonation performances.Specifically,DAP-7 has an ultrahigh thermal stability(decomposition temperatures(Td)= 375.3 ℃),a high detonation velocity(D = 8.883 km?s-1),and a high detonation pressure(P = 35.8 GPa);therefore,it exhibits potential as a heat-resistant explosive.Similarly,DAP-6 has a high thermal stability(Td = 245.9 ℃)and excellent detonation performance(D = 9.123 km-s-1,P = 38.1 GPa).Nevertheless,it also possesses a remarkably high detonation heat(Q= 6.35 kJ?g-1)and specific impulse(Isp = 265.3 s),which is superior to that of hexanitrohexaazaisowurtzitane(CL-20;Q = 6.23 kJ?g-1,Isp = 264.8 s).Thus,DAP-6 can serve as a promising high-performance energetic material for practical use.