Published September 23, 2025
| Version 0.1
Dataset
Open
Prototype crystal structures for exa-AMD framework
Description
This dataset provides a curated collection of initial crystal structure prototypes for the exa-AMD framework, serving as templates for generating hypothetical candidates in multinary materials discovery through elemental substitution and scaling. It includes 36553 ternary and 5254 quaternary unique structures sourced from public databases such as Materials Project, GNoME, OQMD, AFLOW, and NovoMag, formatted in CIF.
Files
exa_amd_dataset.zip
Files
(31.6 MB)
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md5:7f8e573e563c34a64fdb90c345470bdc
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Additional details
Dates
- Available
-
2025-09-22