Skip to main content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.


The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Xiang Li

Research Interests

Crystallographic databases:
Evaluate and standardize crystallographic databases for inorganic materials, and provide support for flexible searching of the databases; use computational tools to generate calculated data to meet the demands for the increased device functionality from academia and industry.

Materials Informatics:
Combine statistical methods with materials databases to expedite experimental data processing, optimize materials design and provide guidance for knowledge discovery.

X-ray diffraction and electron microscopy:
Structure and chemistry determination using XRD and Electron Microscopy, identify structure-property relationships.

Li Figure 1 and 2
Figure 1(left): PC interface for searching FIZ/NIST Inorganic Crystal Structure Database (ICSD, NIST Standard Reference Database 84); Figure 2(right): Crystal structure of Al5.6 Cu1 Li2.9, generated from the information stored in crystallographic database.


Li figure 3
Figure 3: Phase identification from combinatorial experiments using calculated diffraction data.


Machine Learning Study of the Heulandite Family of Zeolites

Shujiang Yang, Mohammed Lach-hab, Estela Blaisten-Barojas, Xiang Li, Vicky L. Karen
Heulandite and clinoptilolite form the most abundant family of natural zeolite crystals. The topology of both of them is characterized by the framework type HEU

Guidelines for Media Sanitization

Richard L. Kissel, Matthew A. Scholl, Steven Skolochenko, Xiang Li
Information systems capture, process, and store information using a wide variety of media. This information is located not only on the intended storage media
Created August 15, 2019, Updated November 14, 2019