Welcome to CIFServer
checkCIF-DFT, software for crystal structure verification by MLIP and DFT methods. Upload a CIF file to analyze and validate crystallographic structures using DFT based MLIP or DFT energy methods.
You can contact us by email: Michal Hušák - husakm@vscht.cz or learn more about us on our website: https://uchpel.vscht.cz.
What does the application do?
CIF file uploads - Upload crystallographic data files.
checkCIF-DFT analysis - Structure analysis based on experimental structure comparison with geometrically optimized structure.
HTML report generation - Professional output reports with analysis results.
Get started
Upload a CIF file and configure the analysis settings to run an automated checkCIF-DFT workflow. The analysis is based on experimental structure comparison with geometrically optimized structure. This helps to identify potential structure description issues and assess the reliability of the submitted model. Before submission, you can select the run mode, atom filtering options, and the preferred energy calculation method.