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

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CrRhAs (#1.895)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: Chenglin Shang, Daye Xu, Bingxian Shi, Xuejuan Gui, Zhongcen Sun, Juanjuan Liu, Jinchen Wang, Hongxia Zhang, Hongliang Wang, Lijie Hao, Peng Cheng, PHYSICAL REVIEW B (2026) 113 184430
DOI: 10.1103/m1yw-sslt
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-62m (#189)
Propagation vector: k1 (1/3, 1/3, 1/2)

Transition Temperature: 151 K
Experiment Temperature: 3.5 K

Lattice parameters of the magnetic unit cell:
19.16970 19.16970 7.44280 90.00 90.00 120.00
Transformation from parent structure: (3a,3b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc-6 (#174.136) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2/3a+1/3b,-1/3a+1/3b,c;8/9,1/9,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -6.1' (22.2.80)
    [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|
Cr1_1Cr0.197030.000000.2500018mx,my,00.768-1.7240.02.21
Cr1_2Cr0.000000.197030.2500018mx,my,02.4920.7680.02.21
Cr1_3Cr0.802970.802970.2500018mx,my,00.768-1.7240.02.21

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mH5HA5 4 2 special primary 4
mA4 1 1 secondary 1 yes
mA1 1 1 seocndary 1 yes


Comments:
Comments (symmetry):

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