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- W2024876471 abstract "The heats of formation for ordered binary $4d$ transition-metal (Y and Nb--Pd) aluminides are calculated from first-principles for different compositions and for a number of competing crystal structures. The calculated heats for these aluminides are typically within ensuremath{sim}0.01 eV/atom of the calorimetric values, faithfully tracing the trends in alloying for diverse crystalline packings, with the maximum heat of formation associated with RhAl. Issues of the stability versus the metastability of several reported phases are addressed." @default.
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- W2024876471 date "2001-11-29" @default.
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- W2024876471 title "Transition-metal aluminide formation: The<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mn>4</mml:mn><mml:mi>d</mml:mi></mml:math>aluminides" @default.
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- W2024876471 doi "https://doi.org/10.1103/physrevb.65.014103" @default.
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