Data set for "Vacancy enhanced Li, Na, and K clustering on graphene"
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This repository contains the library of computational structures generated and used for our study "Vacancy enhanced Li, Na, and K clustering on graphene" (10.1039/D5SE00130G). The final processed data is compiled into a single ASE-compatible database file (https://wiki.fysik.dtu.dk/ase/ase/db/db.html) Li_Na_K_nuc_final.db.
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Zenodo创建时间：
2025-08-06
