Crystallography Open Database

Result: there are 1 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' volume of publication is 42

Left arrow Left arrow First | Left arrow Previous 5 | of 1 | Next 5 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
1548823 CIFC Ni O3R -3 c :H4.6117; 4.6117; 14.735
90; 90; 120		271.4Zhao, 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, 42, 4-5

Left arrow Left arrow First | Left arrow Previous 5 | of 1 | Next 5 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!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.