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: Yunshu Shi, Huibo Cao, Hung-Cheng Wu, Li Yin, Neil Harrison, David S. Parker, Tushar Bhowmick, Tessa McNamee, Fatemeh Safari, Sergey L. Budko, James C. Fettinger, Susan M. Kauzlarich, Peter Klavins, Dmitry Popov, Ravhi Kumar, Russell J. Hemley, Shanti Deemyad, Taku J. Sato, Paul. C. Canfield, Valentin Taufour, PHYSICAL REVIEW B (2024) 110 235159
DOI: 10.1103/PhysRevB.110.235159
Atomic positions from: Shi et al., Phys. Rev. B 104, 184407 (2021)

Parent space group (paramagnetic phase): Cmce (#64)
Propagation vector: k1 (0, 1, 0)

Transition Temperature: 252 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
5.33020 9.5670 7.11270 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Accn (#56.374) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,a,b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm1' (8.2.25)
    [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\|
Co1	Co	0.25000	0.41353	0.25000	8	0,m_y,0	0.0	-0.68(3)	0.0	0.68
Co2	Co	0.50000	0.00000	0.00000	4	0,m_y,m_z	0.0	1.25(4)	0.03(8)	1.25

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mY4+	1	1	primary	3

Comments:

NSD
Positional structure is not provided. Here one reported by another study at room temperature is used

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep

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