⭐ Article highlights: XRDlicious: an interactive web-based platform for online calculation of diffraction patterns and radial distribution functions from crystal structures

Highlights:

• Interactive web platform for diffraction and RDF analysis
  A browser-based tool for calculating powder X-ray diffraction, neutron diffraction, and radial distribution functions from crystal structures.
• No installation or registration required
  Runs directly online across operating systems and devices, including computers, tablets, and mobile phones.
• Support for common crystal structure formats
  Accepts widely used formats such as CIF, POSCAR, LMP, XYZ, XSF, PW, and CFG for structure-based calculations.
• Integrated retrieval from crystallographic databases
  Allows users to search and import structures directly from Materials Project, MC3D, and the Crystallography Open Database.
• Powder XRD and neutron diffraction simulation
  Calculates diffraction patterns with configurable wavelength, axis units, peak broadening, intensity scaling, and peak annotation.
• Partial and total radial distribution function calculation
  Computes PRDFs and total RDFs from uploaded structures, with adjustable cutoff distance and bin size.
• Structure visualization, modification, and export
  Enables visualization of crystal structures, editing of elements, occupancies and lattice parameters, and export to CIF, POSCAR, LMP, or XYZ.
• Comparison of multiple structures and datasets
  Supports simultaneous plotting of diffraction patterns from several structures and comparison with uploaded experimental data.
• Experimental diffraction data conversion tools
  Converts powder diffraction data between wavelengths, d-space, q-space, and fixed or automatic divergence slit geometries.
• Useful for research and education
  Provides an accessible interface for quick diffraction simulations, structural comparison, and hands-on teaching of diffraction and RDF concepts.