- the data for each prototype is stored in a subfolder, named after its label, under
data - structured information is available in
info.json base.bibcontains the citation to the first known report of the original structurefound_in.bibcontains the citation to the report that lead to the inclusion of this prototype into our dataset
The data presented here was published in Computational Materials Science:
The AFLOW Library of Crystallographic Prototypes: Part 4
H. Eckert, S. Divilov, M.J. Mehl, M. Esters, A.C. Zettel, X. Campilongo, D. Hicks, and S. Curtarolo
Computational Materials Science 240, 112988 (2024).
DOI: 10.1016/j.commatsci.2024.112988 | BibTeXThe AFLOW Library of Crystallographic Prototypes: Part 3
D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo
Computational Materials Science 199, 110450 (2021).
DOI: 10.1016/j.commatsci.2021.110450 | BibTeXThe AFLOW Library of Crystallographic Prototypes: Part 2
D. Hicks, M.J. Mehl, E. Gossett, C. Toher, O. Levy, R.M. Hanson, G.L.W. Hart, and S. Curtarolo
Computational Materials Science 161 (Supplement), S1-S1011 (2019).
DOI: 10.1016/j.commatsci.2018.10.043 | BibTeXThe AFLOW Library of Crystallographic Prototypes: Part 1
M.J. Mehl, D. Hicks, C. Toher, O. Levy, R.M. Hanson, G.L.W. Hart, and S. Curtarolo
Computational Materials Science 136 (Supplement), S1-S828 (2017).
DOI: 10.1016/j.commatsci.2017.01.017 | BibTeX
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