MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	x,-y,z,+1	{ m₀₁₀ \| 0 }
4	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
5	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	-x,y,z,-1	{ m'₁₀₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	x,-y,z,+1	m₀₁₀
4	x,y,-z,+1	m₀₀₁
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
As1	As	0.00000	0.50000	0.73596	2
Cu1	Cu	0.50000	0.50000	0.00000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.33630	0,m_y,0	0.00000	-3.60000	0.00000
2	0.50000	0.00000	0.66370	0,-m_y,0	0.00000	3.60000	0.00000

Atom	x	y	z
1	0.00000	0.50000	0.73596
2	0.50000	0.00000	0.26404

Atom	x	y	z
1	0.50000	0.50000	0.00000
2	0.00000	0.00000	0.00000

Reference: P. Wadley, V. Hills, M.R. Shahedkhah, K.W. Edmonds, R.P. Campion, V. Novak, B. Ouladdiaf, D. Khalyavin, S. Langridge, V. Saidl, P. Nemec, A.W. Rushforth, B.L. Gallagher, S.S. Dhesi, F. Maccherozzi, J. Železny and T. Jungwirth, Scientific Reports (2015) 5.
DOI: 10.1038/srep17079
Atomic positions from: ICSD #423230

Parent space group (paramagnetic phase): P4/nmm (#129) (non-standard)
Transformation to a standard setting: (a,b,c;-1/4,1/4,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 480 K
Experiment Temperature: 293 K

Lattice parameters of the magnetic unit cell:
3.80040 3.80040 6.32180 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pm'mn (#59.407) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;-1/4,1/4,0)
    [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]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.33630	2	0,m_y,0	0.0	-3.6(2)	0.0	3.60

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.33630	0,m_y,0	0.00000	-3.60000	0.00000
2	0.50000	0.00000	0.66370	0,-m_y,0	0.00000	3.60000	0.00000

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5-	2	2	special	primary	1

Comments:

NSD
Stabilized as film by molecular beam epitaxial growth

Comments (symmetry):

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

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https://www.cryst.ehu.es

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

CuMnAs (#0.222)