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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F25%3A00384721" target="_blank" >RIV/68407700:21220/25:00384721 - isvavai.cz</a>

Alternative codes found

RIV/68407700:21340/25:00384721

Result on the web

<a href="https://doi.org/10.1107/S1600576725005370" target="_blank" >https://doi.org/10.1107/S1600576725005370</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S1600576725005370" target="_blank" >10.1107/S1600576725005370</a>

Result language

angličtina

Original language name

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

Original language description

XRDlicious is an online computational tool for calculating powder X-ray diffraction and neutron diffraction patterns (diffractograms) and partial and total radial distribution functions [(P)RDFs] from crystal structures. It features a user-friendly browser-based interface that supports widely used structural file formats, such as CIF, POSCAR, XYZ and LMP. The structures can be either uploaded or retrieved directly from the Crystallography Open Database, Materials Project and Automatic FLOW databases via an integrated search interface. Uploaded structures can be modified and exported in CIF, POSCAR, LMP or XYZ formats. The tool also enables the conversion of experimental powder diffraction data between different wavelengths, to d-space or q-space representations, and between fixed or automatic divergence slits. By eliminating the need for software installation, this application ensures accessibility across various devices (including mobile phones and tablets) and different computer operating systems. Its ability to simultaneously plot diffraction patterns from multiple structures is particularly useful for comparing structures obtained from computational simulations. Beyond research applications, its intuitive interface also makes it suitable for educational purposes, allowing students to explore concepts such as diffraction patterns and (P)RDFs in an easily approachable way. XRDlicious is accessible at https://xrdlicious.com.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

—

Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2025

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Applied Crystallography

ISSN

0021-8898

e-ISSN

1600-5767

Volume of the periodical

58

Issue of the periodical within the volume

5

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

1810-1816

UT code for WoS article

001589114600030

EID of the result in the Scopus database

2-s2.0-105018587446