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 |