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Dr. 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_Fig1  Li_Fig1

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.


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



Materials Engineer, NIST Associate
Ceramics Division
Structure Determination Methods Group

Employment History:

2002-present: Research Associate, Ceramics Division, NIST
2005-present: Postdoctoral Research Associate, George Mason University
2004-2005: Postdoctoral Research Associate, Rensselaer Polytechnic Institute
1996-1998: Engineer, SAE Magnetics, China


Ph.D., Materials Science, Rensselaer Polytechnic Institute, 2003
M.S., Materials Science, Southeast University, China, 1996
B.S., Materials Science, Hefei University of Technology, China, 1993


Phone: 301-975-4001
Fax: 301-975-5334