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. 2022 Nov 15;16(12):19873–19891. doi: 10.1021/acsnano.2c08411

Table 2. Nanostructure Focused Databases.

Nanomaterial databases Data sets
Cambridge Structure Database248 Small-molecule organic and metal–organic crystal structures
Quantum Cluster Database54 50k total DFT calculated structures for nanoclusters with 3–55 atoms
Catalysis-Hub263 100k DFT adsorption and reaction energies
Open Catalyst Project197 1.2 M DFT adsorption structures
Materials Cloud22,264,265 2D materials and porous materials
Quantum Point Defect144 Point defects in 2D materials