Prototype crystal structures for exa-AMD framework

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.本数据集为exa-AMD框架提供了经精心甄选的初始晶体结构原型集，可作为在多组元材料发现研究中，通过元素替换与结构缩放生成假想候选材料的模板。数据集包含36553个三元独特结构与5254个四元独特结构，这些结构均源自材料项目（Materials Project）、GNoME、OQMD、AFLOW及NovoMag等公开数据库，且采用CIF（Crystallographic Information File）格式存储。