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	y,x+1/2,-z,+1	{ 2₁₁₀ \| 0 1/2 0 }
3	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
4	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
7	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
8	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	y+1/2,x,-z,+1	{ 2₁₁₀ \| 1/2 0 0 }
11	-y+1/2,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 1/2 1/2 1/2 }
12	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
15	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
16	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
19	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
20	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
21	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
22	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
23	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
24	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
(1/2,0,0)' + set click here to show and hide
25	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
26	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
27	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
28	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
29	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
30	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
31	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
32	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

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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	y,x,-z,+1	2₁₁₀
3	-y,-x,-z,+1	2_1-10
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-y,-x,z,+1	m₁₁₀
7	y,x,z,+1	m_1-10
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	y,x,-z,-1	2'₁₁₀
11	-y,-x,-z,-1	2'_1-10
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-y,-x,z,-1	m'₁₁₀
15	y,x,z,-1	m'_1-10
16	x,y,-z,-1	m'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.00000	0.00000	0.00000	8	m_x,-m_x,m_z	0.81	-0.81	0.0	1.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu	0.16667	0.33333	0.25000	8
Si1	Si	0.16667	0.33333	0.75000	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	0.81000	-0.81000	0.00000
2	0.00000	0.00000	0.50000	m_x,-m_x,-m_z	0.81000	-0.81000	0.00000
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3	0.50000	0.50000	0.00000	m_x,-m_x,m_z	0.81000	-0.81000	0.00000
4	0.50000	0.50000	0.50000	m_x,-m_x,-m_z	0.81000	-0.81000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000	-m_x,m_x,-m_z	-0.81000	0.81000	0.00000
6	0.00000	0.50000	0.50000	-m_x,m_x,m_z	-0.81000	0.81000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,m_x,-m_z	-0.81000	0.81000	0.00000
8	0.50000	0.00000	0.50000	-m_x,m_x,m_z	-0.81000	0.81000	0.00000

Atom	x	y	z
1	0.16667	0.33333	0.25000
2	0.33333	0.66667	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.83333	0.25000
4	0.83333	0.16667	0.75000
(0,1/2,0)' + set click here to show and hide
5	0.16667	0.83333	0.25000
6	0.33333	0.16667	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.66667	0.33333	0.25000
8	0.83333	0.66667	0.75000

Atom	x	y	z
1	0.16667	0.33333	0.75000
2	0.33333	0.66667	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.83333	0.75000
4	0.83333	0.16667	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.16667	0.83333	0.75000
6	0.33333	0.16667	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.66667	0.33333	0.75000
8	0.83333	0.66667	0.25000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.00000	0.00000	0.00000	8	m_x,-m_x,m_z	0.81	-0.81	0.0	1.40

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	0.81000	-0.81000	0.00000
2	0.00000	0.00000	0.50000	m_x,-m_x,-m_z	0.81000	-0.81000	0.00000
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3	0.50000	0.50000	0.00000	m_x,-m_x,m_z	0.81000	-0.81000	0.00000
4	0.50000	0.50000	0.50000	m_x,-m_x,-m_z	0.81000	-0.81000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000	-m_x,m_x,-m_z	-0.81000	0.81000	0.00000
6	0.00000	0.50000	0.50000	-m_x,m_x,m_z	-0.81000	0.81000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,m_x,-m_z	-0.81000	0.81000	0.00000
8	0.50000	0.00000	0.50000	-m_x,m_x,m_z	-0.81000	0.81000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mM4+	1	3	primary	2

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