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Abstract The X₂MH₆family, consisting of an electropositive cation Xⁿ⁺and a main group metal M octahedrally coordinated by hydrogen, have been identified as promising templates for high‐temperature conventional superconductivity. Herein, we analyze the electronic structure of two members of this family, Mg₂IrH₆and Ca₂IrH₆, showing why the former may possess superconducting properties rivaling those of the cuprates, whereas the latter does not. Within Mg₂IrH₆the vibrations of the anions IrH₆⁴⁻anions are key for the superconducting mechanism, and they induce coupling in the set of orbitals, which are antibonding between the H 1sand the Ir or orbitals. Because calcium possesses low‐lyingd‐orbitals, →Cadback‐donation is preferred, quenching the superconductivity. Our analysis explains why high critical temperatures were only predicted for second or third row X metal atoms, and may provide rules for identifying likely high‐temperature superconductors in other systems where the antibonding anionic states are filled.