High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems

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dc.creatorCurtarolo, Stefano
dc.creatorKolmogorov, Aleksey N.
dc.creatorCocks, Franklin Hadley
dc.date2005-02-22
dc.date.accessioned2026-07-07T06:30:45Z
dc.date.available2026-07-07T06:30:45Z
dc.descriptionPrediction and characterization of crystal structures of alloys are a key problem in materials research. Using high-throughput ab initio calculations we explore the low-temperature phase diagrams for the following systems: {Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb}. For the experimentally observed phases in these systems we provide information about their stability at low temperatures. Keywords: Binary Alloys, Ab initio, Intermetallics, Transition Metals, Structure Prediction, Phase Stability, Magnesium, Indium, Bismuth, Antimony.
dc.description6 pages 6 pics
dc.identifierhttps://arxiv.org/abs/cond-mat/0502535
dc.identifierhttp://arxiv.org/abs/cond-mat/0502535
dc.identifierCalphad 29, 155-161 (2005).
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/98419
dc.subjectMaterials Science
dc.titleHigh-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems
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