Published September 23, 2025 | Version 0.1
Dataset Open

Prototype crystal structures for exa-AMD framework

  • 1. ROR icon Ames National Laboratory

Contributors

Data collector:

Project manager:

  • 1. ROR icon Ames National Laboratory

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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Additional details

Dates

Available
2025-09-22