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

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Mn2Au (#0.1081)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: Mebatsion S. Gebre, Rebecca K. Banner, Kisung Kang, Kejian Qu, Huibo Cao, Andre Schleife, Daniel P. Shoemaker, PHYSICAL REVIEW MATERIALS (2024) 8 084413
DOI: 10.1103/PhysRevMaterials.8.084413
Atomic positions from: ICSD #58548

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 295 K

Lattice parameters of the magnetic unit cell:
3.32800 3.32800 8.53900 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Fm'mm (#69.523) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a-b,a+b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'mm (8.3.26)
    [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]
                                        

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1Mn0.000000.000000.333004mx,mx,03.2243.2240.04.56

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mGM5- 2 2 special primary 1


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