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6 eV) and consequently, the N2 was found to form the weakly bound [N4Mg6M][N2] complex rather than the desired ionic [N4Mg6M]+[N2]- product. Thus, the N4Mg6M superalkalis have high selectivity over N2 when it comes to CO2 reduction and also are themselves stable. We believe that the results described within this paper will be useful for understanding CO2 activation, which is the first step for producing fuels from CO2. Moreover, we demonstrate that designing novel superatomic systems and exploring their physicochemical features might be