This online browser-based calculator allows to upload structure files (e.g., CIF or POSCAR formats) or select them from the implemented search interface for the Materials Project (MP) or AFLOW databases, and it will calculate the corresponding diffractions patterns for X-rays (XRD) and neutrons (ND), or the partial radial distribution functions (PRDF) for each element combination, as well as the total RDF. If multiple files are uploaded, the PRDF will be averaged for corresponding element combinations across the structures. Users can also interactively visualize uploaded structures, convert between conventional and primitive cells, and download the corresponding CIF files.

• Tutorial for XRD data conversion and interactive plot of any two-column data files:

  • implant.fs.cvut.cz/plot-online-data-convert-xrd-data/
    

• Tutorial for (P)RDF calculation:

  • https://implant.fs.cvut.cz/calculate-prdf/