Figure 1.

Computed structures of Pt₁₂D₂₄ ⁻ isomers 1–3 with the approximate point group symmetry for the Pt‐core, relative energy for TPSS/def2‐TZVP (2C‐TPSS/dhf‐TZVP‐2c), and experimental profile factor. Structure 4 shows the bare cluster ${\mathrm{Pt}}_{12}^{-}$ .