Crystallography Open Database

Result: there are 22 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Journal of Chemical Theory and Computation'

Blue left arrow Blue left arrow First | Blue left arrow Previous 20 | of 2 | Next 20 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1548825 CIFC Co O3R -3 c :H4.6618; 4.6618; 14.963
90; 90; 120
281.62Zhao, Qing; Kulik, Heather J.
Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.
Journal of chemical theory and computation, 2018
9014004 CIFCP 6/m m m4.89; 4.89; 3.88
90; 90; 120
80.349Bucknum, M. J.; Castro, E. A.
The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes
Journal of Chemical Theory and Computation, 2006, 2, 775-781

Blue left arrow Blue left arrow First | Blue left arrow Previous 20 | of 2 | Next 20 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!