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The AFLOW library of crystallographic prototypes: Part 4

Publication ,  Journal Article
Eckert, H; Divilov, S; Mehl, MJ; Hicks, D; Zettel, AC; Esters, M; Campilongo, X; Curtarolo, S
Published in: Computational Materials Science
May 1, 2024

The AFLOW Library of Crystallographic Prototypes has been updated to include an additional 683 entries, which now reaches 1,783 prototypes. We have also made some changes to the presentation of the entries, including a more consistent definition of the AFLOW-prototype label and a better explanation of our choice of space group when the experimental data is ambiguous. A method is presented for users to submit new prototypes for the Encyclopedia. We also include a complete index linking to all the prototypes currently in the Library.

Duke Scholars

Published In

Computational Materials Science

DOI

ISSN

0927-0256

Publication Date

May 1, 2024

Volume

240

Related Subject Headings

  • Materials
  • 5104 Condensed matter physics
  • 4016 Materials engineering
  • 0912 Materials Engineering
  • 0205 Optical Physics
  • 0204 Condensed Matter Physics
 

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Eckert, H., Divilov, S., Mehl, M. J., Hicks, D., Zettel, A. C., Esters, M., … Curtarolo, S. (2024). The AFLOW library of crystallographic prototypes: Part 4. Computational Materials Science, 240. https://doi.org/10.1016/j.commatsci.2024.112988
Eckert, H., S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters, X. Campilongo, and S. Curtarolo. “The AFLOW library of crystallographic prototypes: Part 4.” Computational Materials Science 240 (May 1, 2024). https://doi.org/10.1016/j.commatsci.2024.112988.
Eckert H, Divilov S, Mehl MJ, Hicks D, Zettel AC, Esters M, et al. The AFLOW library of crystallographic prototypes: Part 4. Computational Materials Science. 2024 May 1;240.
Eckert, H., et al. “The AFLOW library of crystallographic prototypes: Part 4.” Computational Materials Science, vol. 240, May 2024. Scopus, doi:10.1016/j.commatsci.2024.112988.
Eckert H, Divilov S, Mehl MJ, Hicks D, Zettel AC, Esters M, Campilongo X, Curtarolo S. The AFLOW library of crystallographic prototypes: Part 4. Computational Materials Science. 2024 May 1;240.
Journal cover image

Published In

Computational Materials Science

DOI

ISSN

0927-0256

Publication Date

May 1, 2024

Volume

240

Related Subject Headings

  • Materials
  • 5104 Condensed matter physics
  • 4016 Materials engineering
  • 0912 Materials Engineering
  • 0205 Optical Physics
  • 0204 Condensed Matter Physics