Calculate Powder Diffraction Patterns From Crystal Structures

Using XRDlicious, you can calculate online powder diffraction patterns from multiple crystal structure files (CIF, POSCAR, LMP, …) at once.

From the sidebar, select the module Powder Diffraction, upload your structure files, and compute their XRD patterns. If you do not have your crystal structure files, you can also directly fetch them from implemented search interface within Materials Project, AFLOW, and Crystallography Open Database (COD).