MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: R. Stadel, D.D. Khalyavin, P. Manuel, K. Yokoyama, S. Lapidus, M.H. Christensen, R.M. Fernandes, D. Phelan, D.Y. Chung, R. Osborn, S. Rosenkranz, O. Chmaissem, Communications Physics (2022) 5 146
DOI: 10.1038/s42005-022-00911-5
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/nmm (#129)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 25 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
5.63131 5.63131 8.57122 90.00000 90.00000 90.00000
Transformation from parent structure: (a-b,a+b,c;3/4,1/4,0)
    [View matrix form]

BNS Magnetic Space Group: P_C-42₁m (#113.273) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -42m.1' (14.2.49)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe_1	Fe	0.50000	0.50000	0.50000	2	0,0,M_z	0.0	0.0	-0.189	0.19
Fe_2	Fe	0.50000	0.00000	0.50000	2	0,0,0	0.0	0.0	0.0	0.00

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mM1	1	2	primary	1

Comments:

NPD

Comments (symmetry):

1-k magnetic structure. The structure is referred as double-k in literature, because it requires two propagation vectors (pi,0) and (0,pi) using the Brillouin zone associated with the square lattice formed by Fe ions.

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