Aimatrastructure
Crystal Description
Generate crystal structure descriptions from CIF files online or with the CrystalDesk Windows offline client. The online service uses a hosted Python backend; CrystalDesk processes files locally and requires activation.
CrystalDesk · Windows offline download
Installation & activation
Extract the entire archive and run CrystalDesk.exe. Microsoft Edge WebView2 Runtime is required.
Activation: send the Machine ID shown in the app to hello@aimatralab.com to obtain a machine-bound license, then paste the activation code. Existing .cdlicense files can still be imported.
Package & checksum
The main download provides the original release; the Baidu mirror provides the contact-only maintenance package. Computation and activation are unchanged.
Original release: CrystalDesk-2.1.0-enhanced-win-x64.zip
SHA-256: 9106c99d72d207d229edfe1a9326cb738a4697e7e063ac0abbd2fe28f4b59e35
Mirror maintenance package: CrystalDesk-2.1.0-enhanced-contact-r1-20261020-win-x64.zip
Access code: q6f7 · The expiry shown by Baidu applies.
SHA-256: d82a52a64a7b73a95a11b381483fdd1b3863ff2f414d29d841a9ef083359cc4e
Mirror maintenance revision: contact-r1-20261020 · This revision updates support contacts only; computation and activation are unchanged.
Enhanced build details
The enhanced build retains the software website and Xiaohongshu tutorial links. Features include paper-style descriptions for disordered structures with separate evidence, 1–4 repeats along each cell axis, ball-and-stick, space-filling, wireframe and geometric polyhedra, crystal-axis views, color and size controls, and PNG export. Mixed occupancies retain their original fractions; descriptions refer to the average structure.
Tutorials
Overview
Features
- CIF structure descriptions generated by the hosted Robocrys Python backend
- Embedded Streamlit workspace with a direct service link
- SnO₂ example, copy and download within the original service
- Community-hosted service; confidential structures should not be uploaded
- CrystalDesk 2.1.0 offline: paper-style average-structure prose for mixed occupancies, display supercells, interactive modes and TXT/JSON/PNG export
- Portable Windows x64 ZIP; extract the entire folder and run CrystalDesk.exe. Microsoft Edge WebView2 Runtime is required
- Paste a developer-issued activation code to activate this machine; existing .cdlicense files remain supported
Version history
2026-10-20 contact-only maintenance (contact-r1-20261020): support email is hello@aimatralab.com; the original release remains available through the main download alongside the revised Baidu mirror package, with unchanged computation and activation. 2026-10-14 maintenance: adds software website and Xiaohongshu tutorial links to the desktop header; refreshes the Windows package and Baidu mirror. CrystalDesk Windows enhanced build: occupancy-aware paper-style prose, display supercells, four rendering modes, axis views and PNG export. Existing activation remains supported. Requires Microsoft Edge WebView2 Runtime.
V2.1.0 current contact: hello@aimatralab.com
Text-activation build: paste an activation code, retain compatibility with .cdlicense files, and use the updated support address 164454707@qq.com. Runtime caches and logs are excluded from the portable ZIP.
Updates & usage guides
Follow our WeChat and Xiaohongshu accounts for Crystal Description version updates, tutorials and case studies.
WeChat Official Account
迷之炼金术士
WeChat ID：wband2046
Xiaohongshu
向天歌
Xiaohongshu ID：231054605
