- Curtarolo, Stefano and Kolmogorov, Aleksey N. and Cocks, Franklin Hadley, High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems,
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol. 29 no. 2
pp. 155 - 161  .
(last updated on 2007/04/06)
Prediction 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. © 2005 Elsevier Ltd. All rights reserved.
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