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a) Minimum energy structures found by the search algorithm for various compositions of Sn and O on Pt3Sn(111). b) Calculated free energies for the different structures under the experimental conditions (10−5 mbar, 600 °C), relative to the Sn11O12 structure. c) Model of the lowest‐energy Sn11O12 structure, corresponding to the observed (4×4) phase.
