The PAULING FILE project represents one of the ongoing efforts to create comprehensive
materials databases. The aim is to build up a new platform for data mining and develop
software tools for inorganic materials design. The project started in 1995; the first
product currently available is dedicated to binary compounds only (Binaries Edition).
A multinary edition is planned for the year 2005.
The data of PAULING FILE Binaries Edition have been extracted from around 21,000 original
publications taken from more than 550 journals, covering the world literature from 1900
to 2000. All PAULING FILE data are processed by an international group of highly experienced
editors, assisted by an evaluation, standardization and derived-data creation software
package containing more than 100 different modules. The as-published data are accompanied
by value-added information, such as assigned atomic coordinates, calculated powder
diffraction patterns and fully standardized crystal structure data.
The PAULING FILE covers all non-organic (i.e. compounds without C-H bonds) ordered solid state materials
and consists of structure, diffraction, constitution (phase diagram) and physical property data.
To have these four groups of materials data as numerical, factual, and image data under the same
computer environment is world unique.
The Binaries Edition database contains about 28,300 structural data sets describing more than
10,000 different phases, about 3,000 published and 27,000 computed powder patterns, about
8,000 binary phase diagrams and 17,300 physical property data sets with approximately 43,100
data items. The data contained in this database already equal over 30,000 printed pages,
i.e. a 20 volume Handbook.
Team and Copyright
The PAULING FILE Binaries Edition results from a cooperation between JST (Japan Science and
Technology Corporation, Tokyo, Japan) and MPDS (Material Phases Data System, Vitznau, Switzerland).
The data of the PAULING FILE Binaries Edition have been cooperatively produced by JST and MPDS.
The CD-ROM software is developed by CRYSTAL IMPACT in collaboration with MPDS.