Faculty of Physics and Nuclear Techniques, University of Mining
al.Mickiewicza 30, 30-059 Krakow, Poland
Keywords: Magnetic order, Phase transitions, Diffraction
Correspondence should be directed to: W.Sikora,
Faculty of Physics and Nuclear Techniques, University of Mining and Metallurgy,
al.Mickiewicza 30, 30-059 Krakow, Poland
The source files are orga8nized in a way related to the
CIF standard .
The first set of data, concerning the crystallographic parameters of a given
compund, uses the exact forms of CIF data names. The description concerns
the paramagnetic phase (PF), right above the first magnetic phase transition
and all the magnetic phases below. It includes: the symmetry space group,
cell parameters and atomic positions with the corresponding measurement
temperatures. The coordinate system used for description of the PF should
be chosen according to the International Tables for Crystallography (ITC)
Here you can see a filled CIF form used for the crystalline data. The remaining sets of data concern the description of the magnetically ordered phases found in the respective compound. For each magnetic phase a separate data set is built. The data files for a sequence of magnetic phases in one compound are labelled in the order of decreasing temperatures. The description of each magnetic phase is done in a coordinate system consistent with the respective crystallographic phase description. We present here both a vocabulary of magnetic keywords and a filled form used for the magnetic data.
The preliminary version of the entry forms has been discussed with the participants of "Workshop on Application of Symmetry Analysis ..." held in Krakow(Poland) in June 1996, and here we present the final form prepared after the ECNS'96 conference (held in Zurich).
The data files for each magnetic phase include:
For all the above data the respective references are given, when available. A sample reference list is presented here.
The information is presented by a program written in C++, providing a
possibility to search the database using several various criteria (elements,
symmetry group etc.). For the chosen magnetic phase the information is
presented in three blocks: the crystalline data, the magnetic structure and
the list of references. The display is splitted vertically into two windows,
so that two data blocks (choosen by the user) can be seen at the same time.
In each window the information can be scrolled up and down. When required a
picture of crystalline unit cell or magnetic structure can be loaded into one
of the windows. Here you can see:
Our intention is to distribute the database only as a datafile, presented by the program mentioned above. The reason for that is to provide the possibility of a permanent update and the correction of errors. We plan to distribute the package on the "registered users" basis with rather small registration fee. We expect the users to contribute to the database both by the filled in entry forms as well as the correction of data records. In our opinion the above rules should provide the required flexibility and also a form of quality control.
To order the empty data forms by e-mail or just to send a comment you can send an e-mail to the authors at the
Preliminary version of the presentation program, providing a possibility to browse the contents of the database, is already available. The program searches for the requested compound, shows the text description files and draws pictures of both crystalline and magnetic structure of the compund. Together with program a sample database is provided, including 30-40 compounds with rather simple magnetic structures. The preliminary version is not able to deal with the more complicated, modulated magnetic structures, which will available later, in the fully developed presentation program.
The program can be downloaded in the form of a ZIP archive, including the program, the index and body of the database and two additional modules. All the files should be unpacked into one directory. For the proper work of the program about 560K of free operational memory is required. You can control the program both by mouse and the keyboard. All possible comments and bug descriptions are very welcome. The authors will try to correct the bugs as well as take into account all the users suggestions in the future versions of the program.