MAGMODELIZE: Magnetic structure models for any given magnetic symmetry (it can be used combined with k-SUBGROUPSMAG)

MAGMODELIZE: Magnetic structure models for any given magnetic symmetry

MAGMODELIZE provides magnetic structure models for any given magnetic subgroup of the corresponding parent grey group of a structure. MAGMODELIZE can be used combined with k-SUBGROUPSMAG. The space group of the paramagnetic phase (parent group), the magnetic space group label, and the group-subgroup basis transformation must be given as input. As well as the program MAXMAGN, MAGMODELIZE provides, for the specified subgroup, the general positions, the systematic absences and domain-related alternative descriptions. A particular structure (CIF file) can also be given as input. In that case, the magnetic structure is also provided, which can be downloaded in a mCIF file or 3D visualized with Jmol via MVISUALIZE.

Note: MAGMODELIZE only works with magnetic space groups in BNS standard setting. If you have a transformation P_{OG} to a magnetic space group in OG standard setting, the transformation to that group in BNS standard setting, P_{BNS}, is:

P_{BNS}=P_{OG}·P_{OG->BNS}

where P_{OG->BNS} is the transformation matrix from OG to BNS, which can be obtained in MGENPOS.

Examples and further information can be found in the following paper: