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本数据集包含孤立二十面体富勒烯、多层富勒烯“洋葱”及堆叠石墨烯层的优化结构，按类型分类存储。石墨烯结构按堆叠层数组织，所有结构均通过LAMMPS中的AIREBO力场优化，为碳材料结构研究提供基础数据。
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公开数据创建时间：
2026-01-29
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