Crystal Structure Library Has Been Revised

Photo: A graphic of a crystal structure

The NIST Structural Database is a compilation of chemical data and three-dimensional crystal structures for approximately 20,000 materials, primarily metals, alloys and intermetallics.

While the database has been available previously, this latest upgrade features a re-evaluation of all 20,000 crystal structures to ensure that the highest quality data are included. The upgrade e efforts include improved standardization of the data provided for each structure and additional data fields for each entry. The structure data provided can be imported into Virtual Reality Modeling Language (VRML) players that allow researchers to view the structures in three dimensions and to rotate them in space.

The database is typically licensed by software companies and instrument manufacturers. For example, the database may be incorporated into software used to identify chemical compositions or crystalline structures using electron diffraction.; Source: National Institute of Standards and Technology (NIST)