MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
(1/3,2/3,1/3) + set click here to show and hide
5	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
6	x-y+1/3,-y+2/3,-z+5/6,+1	{ 2₁₀₀ \| 1/3 2/3 5/6 }
7	-x+1/3,-y+2/3,-z+5/6,+1	{ -1 \| 1/3 2/3 5/6 }
8	-x+y+1/3,y+2/3,z+1/3,+1	{ m₁₀₀ \| 1/3 2/3 1/3 }
(2/3,1/3,2/3) + set click here to show and hide
9	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
10	x-y+2/3,-y+1/3,-z+1/6,+1	{ 2₁₀₀ \| 2/3 1/3 1/6 }
11	-x+2/3,-y+1/3,-z+1/6,+1	{ -1 \| 2/3 1/3 1/6 }
12	-x+y+2/3,y+1/3,z+2/3,+1	{ m₁₀₀ \| 2/3 1/3 2/3 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
15	-x,-y,-z,-1	{ -1' \| 0 }
16	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
(1/3,2/3,5/6)' + set click here to show and hide
17	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
18	x-y+1/3,-y+2/3,-z+1/3,-1	{ 2'₁₀₀ \| 1/3 2/3 1/3 }
19	-x+1/3,-y+2/3,-z+1/3,-1	{ -1' \| 1/3 2/3 1/3 }
20	-x+y+1/3,y+2/3,z+5/6,-1	{ m'₁₀₀ \| 1/3 2/3 5/6 }
(2/3,1/3,1/6)' + set click here to show and hide
21	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
22	x-y+2/3,-y+1/3,-z+2/3,-1	{ 2'₁₀₀ \| 2/3 1/3 2/3 }
23	-x+2/3,-y+1/3,-z+2/3,-1	{ -1' \| 2/3 1/3 2/3 }
24	-x+y+2/3,y+1/3,z+1/6,-1	{ m'₁₀₀ \| 2/3 1/3 1/6 }

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+y,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x-y,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+y,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Dy	Dy	0.00000	0.00000	0.25000	6	m_x,0,0	6.75(35)	0.0	0.0	6.75

Non-magnetic atoms:

Label	Atom type	z	Multiplicity
Al2	Al	0.03890	12
Ge	Ge	0.11135	12
Al1	Al	0.15570	12
Ni	Ni	0.00000	6

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,0	6.75000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58333	m_x,0,0	6.75000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91667	m_x,0,0	6.75000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000	-m_x,0,0	-6.75000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.08333	-m_x,0,0	-6.75000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.41667	-m_x,0,0	-6.75000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Al2:

Atom	x	y	z
1	0.00000	0.00000	0.03890
2	0.00000	0.00000	0.46110
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.37223
4	0.33333	0.66667	0.79443
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.70557
6	0.66667	0.33333	0.12777
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.53890
8	0.00000	0.00000	0.96110
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.87223
10	0.33333	0.66667	0.29443
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.20557
12	0.66667	0.33333	0.62777

Set of atoms in the unit cell related by symmetry with the atom Ge:

Atom	x	y	z
1	0.00000	0.00000	0.11135
2	0.00000	0.00000	0.38865
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.44468
4	0.33333	0.66667	0.72198
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.77802
6	0.66667	0.33333	0.05532
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.61135
8	0.00000	0.00000	0.88865
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.94468
10	0.33333	0.66667	0.22198
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.27802
12	0.66667	0.33333	0.55532

Set of atoms in the unit cell related by symmetry with the atom Al1:

Atom	x	y	z
1	0.00000	0.00000	0.15570
2	0.00000	0.00000	0.34430
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.48903
4	0.33333	0.66667	0.67763
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.82237
6	0.66667	0.33333	0.01097
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.65570
8	0.00000	0.00000	0.84430
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.98903
10	0.33333	0.66667	0.17763
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.32237
12	0.66667	0.33333	0.51097

Set of atoms in the unit cell related by symmetry with the atom Ni:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Dy	Dy	0.00000	0.00000	0.25000	6	m_x,0,0	6.75(35)	0.0	0.0	6.75

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT3-	2	2	special	primary	1

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