Crystal Structure Database
Crystal Structure Database is a new non-commercial tool for searching crystal structures using bibliographic and structural information. The database contains 2+ million structures from Cambridge Structural Database, NIST Inorganic Crystal Structure Database, and Crystallography Open Database. The project is not commercial and may be used for non-commercial objectives only, such as for scientific and educational purposes. It does not provide original CIF files.
We hope Crystal Structure Database will be useful for your research!
Key Advantages
The Crystal Structure Database (CSD) project uses a database of over 2 million crystal structures. The project currently provides searches against the largest crystallographic database.
CSD’s unified web platform enables convenient searches for both organic and inorganic structures.
CSD uses advanced search algorithms specially developed for efficient searching of crystal structures. Search speed and tools are highly advanced.
CSD enables users to freely generate and save diffraction patterns. This useful feature helps to quickly compare your experimental pattern with the expected structure.
Handling Of Uncertainties
Disorder. In nature, some crystal structures have disordered fragments. As a result, some structures in CSD may have incomplete connectivity graphs, or none at all. Therefore, substructure searches may be less accurate and lead to incomplete results.
Coordination number. Some structures in CSD may have incorrect coordination numbers. This is caused by the use of not always optimal values of the atomic radii.
The CSD team is working to solve these issues.
Current Features
Search for structures by various parameters
Download autogenerated CIF files with general structural data
Export simulated powder diffraction data
Statistics
Upcoming Features
There's more to come. The Crystal Structure Database team is building support for uploading structures, collecting custom structure sets, search by powder diffraction pattern, and much more.
Upload new crystal structures
Manage your own crystal structures and sets
Share your structures with other users
Useful links
Telegram bot
You can use telegram CSD bot and search for crystal structures by smiles, unit cell, elements and other. As well as CSD bot supports combination of search parameters. This bot uses the same database as current project.
CSD
Cambridge Structural Database is a leading crystal structure database where you can find organic, inorganic and hybrid structures.
OdanChem
OdanChem is a large open source database where you can search for chemical compound properties, NMR spectra and related publications.
NOMAD database
NOMAD is a database of quantum-chemical calculated crystal structures. Here you can deposit the results of your calculation in VASP, CASTEP, and other formats, or search for calculated crystal structures of interest.