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Inspired by the experimentally synthesized Na12@[(UO2)(O2)1.5]208− (“Na12@U20”) cluster, we have explored computationally the substitution of the Na cations by many other metals. 6 other M12@U20 systems are found to be stable (M=K+, Rb+, Cs+, Ag+, Mg2+, Fe2+). For 3 of these (Mg2+, Ag+ and Na+), the cluster can support a group 16 dianion at its center, forming a new type of Matryoshka (“Russian Doll”)...
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