Table 2. Calculated combustion energy ΔE_c, gravimetric (E_g) and volumetric (E_V) energy density, and crystallographic unit cell parameter (a) for ZIFs.

ZIF	ΔEc/kJ mol−1	Eg/kJ g−1	EV/kJ cm−3	a/Å
Zn(AIm)2	−4783.8	19.3	19.3	17.045(1)
Co(AIm)2	−4760.0	19.7	19.5	16.960(2)
Cd(AIm)2	−4799.9	16.3	16.5	17.9721(9)
Zn(VIm)2	−4789.9	19.0	18.9	17.147(2)*
Co(VIm)2	−4767.6	19.5	18.4	17.296(1)
Cd(VIm)2	−4808.4	16.1	15.8	18.234(2)
ZIF-8	−3916.0†	17.2‡	15.9§	16.992(1)‖

*From CSD structure GAZBOB (28).

†Measured enthalpy of combustion (ΔH_c) is −4649.0 kJ mol⁻¹.

‡20.6 kJ g⁻¹ based on measured ΔH_c.

§18.9 kJ cm⁻³ based on measured ΔH_c.

‖CSD structure OFERUN02 (27).