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- W2006065660 abstract "Using pair potentials fitted to an ab--initio database, combined with replica--exchange simulated annealing, we show the complex, quasicrystal-related Al$_{11}$Ir$_4$ compound contains a new version of the pseudo-Mackay icosahedral cluster, with non-icosahedral inner Al$_{10}$Ir and/or Al$_9$Ir clusters that exist in various orientations and account for partial occupancies in the reported structure. Two different compositions show first-order transitions to orientationally ordered phases doubling the (cubic) unit cell, which are respectively metallic and insulating." @default.
- W2006065660 created "2016-06-24" @default.
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- W2006065660 date "2011-12-16" @default.
- W2006065660 modified "2023-09-27" @default.
- W2006065660 title "Caged clusters in Al$_{11}$Ir$_4$: structural transition and insulating phase" @default.
- W2006065660 doi "https://doi.org/10.48550/arxiv.1112.3804" @default.
- W2006065660 hasPublicationYear "2011" @default.
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