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

Publication ,  Journal Article
Curtarolo, S; Kolmogorov, AN; Cocks, FH
Published in: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
June 1, 2005

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.

Duke Scholars

Published In

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

DOI

ISSN

0364-5916

Publication Date

June 1, 2005

Volume

29

Issue

2

Start / End Page

155 / 161

Related Subject Headings

  • Materials
  • 4016 Materials engineering
  • 3406 Physical chemistry
  • 3403 Macromolecular and materials chemistry
  • 0912 Materials Engineering
  • 0307 Theoretical and Computational Chemistry
  • 0306 Physical Chemistry (incl. Structural)
 

Citation

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Curtarolo, S., Kolmogorov, A. N., & Cocks, F. H. (2005). 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, 29(2), 155–161. https://doi.org/10.1016/j.calphad.2005.04.003
Curtarolo, S., A. N. Kolmogorov, and F. H. Cocks. “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 29, no. 2 (June 1, 2005): 155–61. https://doi.org/10.1016/j.calphad.2005.04.003.
Curtarolo S, Kolmogorov AN, Cocks FH. 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. 2005 Jun 1;29(2):155–61.
Curtarolo, S., et al. “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, June 2005, pp. 155–61. Scopus, doi:10.1016/j.calphad.2005.04.003.
Curtarolo S, Kolmogorov AN, Cocks FH. 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. 2005 Jun 1;29(2):155–161.
Journal cover image

Published In

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

DOI

ISSN

0364-5916

Publication Date

June 1, 2005

Volume

29

Issue

2

Start / End Page

155 / 161

Related Subject Headings

  • Materials
  • 4016 Materials engineering
  • 3406 Physical chemistry
  • 3403 Macromolecular and materials chemistry
  • 0912 Materials Engineering
  • 0307 Theoretical and Computational Chemistry
  • 0306 Physical Chemistry (incl. Structural)