COMCIF

COMCIF (Covalent Interaction Files) is a standardized file format used to store detailed information about covalent bonds within crystalline materials. It provides precise, structured data about how atoms are connected, including bond types and distances, which is essential for understanding a material's structure. By using COMCIF files, scientists can share and analyze structural information consistently across research studies and databases, facilitating collaboration and advanced modeling in fields like chemistry, materials science, and crystallography.