Make JCPDS from CIF

In order to overlay the expected peak positions of candidate phases, you should jcpds files.

At the moment, the jcpds format which PeakPo uses is a simple text with crystallographic parameters and equation of state parameters.

Together with PeakPo, I provide a PyQt app, JCPDSTools JCPDSTools Github repo.

Where to get CIF files

CIF files for a wide range of materials can be downloaded from web databases, such as:

• American Mineralogist Crystal Structure Database
• Materials Project
• Crystallography Open Database
• Crystallographic and Crystallochemical Database for Minerals and their Structural Analogues