Utilizing the data from Table , we constructed Langmuir adsorption isotherms at 298 for all materials under consideration (as shown in Figure ) and calculated their dimensionless usable capacities (as depicted in Figure ). The analyzed clusters in the Ag(I) series generally exhibit high usable capacities, attributed to their binding enthalpy values that fall in the optimal enthalpy region. In turn, model clusters with large binding enthalpies, such as those that include Au I and Co I , reach near-complete hydrogen saturation at relatively low pressures. This saturation at low pressure indicates that a rise in the discharge temperature or a significantly reduced pressure would be necessary to release hydrogen from these materials. As a result, very low usable capacities are obtained for these materials (from 0% to 9%). As was mentioned above, an exception to that trend is found for the Ni-containing clusters. The Ni I Cd II 4Cl3(bta)6 structure, despite strong binding with an enthalpy value of -31.5 kJ/mol, displays close to an optimal Langmuir isotherm (Figure ) with a gradual uptake of H2, resulting in a usable capacity of 51%.