遇见数据集

Prototype crystal structures for exa-AMD framework

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Zenodo2025-09-22 更新2026-05-26 收录
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资源简介:

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.

提供机构:
Zenodo
创建时间:
2025-09-22
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