The AFLOW library of crystallographic prototypes: Part 5
The AFLOW library of crystallographic prototypes has been updated to incorporate an additional 344 entries, which now reaches 2,127 prototypes. ICSD and CCDC numbers have been added to the website alongside improvements to the user interface. New tutorials covering the basics of crystallography in the context of materials science have also been added. Lastly, we covered the current known applications of AFLOW prototype labels and materials data across research software.
Authors
- Simon Divilov (ORCID: https://orcid.org/0000-0002-4185-6150)
- Hagen Eckert (ORCID: https://orcid.org/0000-0003-4771-1435)
- Xiomara Campilongo (ORCID: https://orcid.org/0000-0001-6123-8117)
- Michael J. Mehl (ORCID: https://orcid.org/0000-0001-9402-6591)
- Stefano Curtarolo
- Nicholas H. Anderson
Institutions
- Duke University (US)
Publication Details
- Journal
- Computational Materials Science
- Published
- 2026-09-14
- DOI
- https://doi.org/10.1016/j.commatsci.2026.115022
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Multidisciplinary University Research Initiative