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+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
3	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
4	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
5	z+1/2,-y+1/2,-x+1/2,+1	{ -4^-₀₁₀ \| 1/2 1/2 1/2 }
6	-z+1/2,-y+1/2,x+1/2,+1	{ -4⁺₀₁₀ \| 1/2 1/2 1/2 }
7	-z+1/2,y,-x+1/2,+1	{ m₁₀₁ \| 1/2 0 1/2 }
8	z+1/2,y,x+1/2,+1	{ m_-101 \| 1/2 0 1/2 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
11	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
12	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
13	z,-y,-x,+1	{ -4^-₀₁₀ \| 0 }
14	-z,-y,x,+1	{ -4⁺₀₁₀ \| 0 }
15	-z,y+1/2,-x,+1	{ m₁₀₁ \| 0 1/2 0 }
16	z,y+1/2,x,+1	{ m_-101 \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
19	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
20	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
21	z+1/2,-y,-x+1/2,-1	{ -4'^-₀₁₀ \| 1/2 0 1/2 }
22	-z+1/2,-y,x+1/2,-1	{ -4'⁺₀₁₀ \| 1/2 0 1/2 }
23	-z+1/2,y+1/2,-x+1/2,-1	{ m'₁₀₁ \| 1/2 1/2 1/2 }
24	z+1/2,y+1/2,x+1/2,-1	{ m'_-101 \| 1/2 1/2 1/2 }
(1/2,0,1/2)' + set click here to show and hide
25	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
26	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
27	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
28	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
29	z,-y+1/2,-x,-1	{ -4'^-₀₁₀ \| 0 1/2 0 }
30	-z,-y+1/2,x,-1	{ -4'⁺₀₁₀ \| 0 1/2 0 }
31	-z,y,-x,-1	{ m'₁₀₁ \| 0 }
32	z,y,x,-1	{ m'_-101 \| 0 }

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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,-z,+1	2₁₀₀
3	-x,-y,z,+1	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
5	z,-y,-x,+1	-4^-₀₁₀
6	-z,-y,x,+1	-4⁺₀₁₀
7	-z,y,-x,+1	m₁₀₁
8	z,y,x,+1	m_-101
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,-y,z,-1	2'₀₀₁
12	-x,y,-z,-1	2'₀₁₀
13	z,-y,-x,-1	-4'^-₀₁₀
14	-z,-y,x,-1	-4'⁺₀₁₀
15	-z,y,-x,-1	m'₁₀₁
16	z,y,x,-1	m'_-101

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd1_1	Gd	0.00000	0.00000	0.00000	4	0,m_y,0	0.0	6.9(5)	0.0	6.90
Gd1_2	Gd	0.00000	0.25000	0.50000	4	0,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
In1	In	0.25000	0.12500	0.25000	8
Cu1_1	Cu	0.62550	0.31275	0.62550	16
Cu1_2	Cu	0.62550	0.56275	0.12550	16

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 Gd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	6.90000	0.00000
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2	0.50000	0.50000	0.50000	0,m_y,0	0.00000	6.90000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.00000	0,-m_y,0	0.00000	-6.90000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000	0,-m_y,0	0.00000	-6.90000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.50000	0,0,0	0.00000	0.00000	0.00000
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2	0.50000	0.75000	0.00000	0,0,0	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.50000	0,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.25000	0.00000	0,0,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom In1:

Atom	x	y	z
1	0.25000	0.12500	0.25000
2	0.25000	0.37500	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.62500	0.75000
4	0.75000	0.87500	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.62500	0.25000
6	0.25000	0.87500	0.75000
(1/2,0,1/2)' + set click here to show and hide
7	0.75000	0.12500	0.75000
8	0.75000	0.37500	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.62550	0.31275	0.62550
2	0.62550	0.18725	0.37450
3	0.37450	0.18725	0.62550
4	0.37450	0.31275	0.37450
(1/2,1/2,1/2) + set click here to show and hide
5	0.12550	0.81275	0.12550
6	0.12550	0.68725	0.87450
7	0.87450	0.68725	0.12550
8	0.87450	0.81275	0.87450
(0,1/2,0)' + set click here to show and hide
9	0.62550	0.81275	0.62550
10	0.62550	0.68725	0.37450
11	0.37450	0.68725	0.62550
12	0.37450	0.81275	0.37450
(1/2,0,1/2)' + set click here to show and hide
13	0.12550	0.31275	0.12550
14	0.12550	0.18725	0.87450
15	0.87450	0.18725	0.12550
16	0.87450	0.31275	0.87450

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.62550	0.56275	0.12550
2	0.62550	0.93725	0.87450
3	0.37450	0.93725	0.12550
4	0.37450	0.56275	0.87450
(1/2,1/2,1/2) + set click here to show and hide
5	0.12550	0.06275	0.62550
6	0.12550	0.43725	0.37450
7	0.87450	0.43725	0.62550
8	0.87450	0.06275	0.37450
(0,1/2,0)' + set click here to show and hide
9	0.62550	0.06275	0.12550
10	0.62550	0.43725	0.87450
11	0.37450	0.43725	0.12550
12	0.37450	0.06275	0.87450
(1/2,0,1/2)' + set click here to show and hide
13	0.12550	0.56275	0.62550
14	0.12550	0.93725	0.37450
15	0.87450	0.93725	0.62550
16	0.87450	0.56275	0.37450

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd1_1	Gd	0.00000	0.00000	0.00000	4	0,m_y,0	0.0	6.9(5)	0.0	6.90
Gd1_2	Gd	0.00000	0.25000	0.50000	4	0,0,0	0.0	0.0	0.0	0.00

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mW1	6	1	special	primary	1

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