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+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
3	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
4	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
7	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
8	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 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,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
11	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
12	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x,y,-z,-1	{ m'₀₀₁ \| 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	2₀₁₀
3	x,-y,-z,+1	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	-x,y,z,+1	m₁₀₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	x,-y,-z,-1	2'₁₀₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	-x,y,z,-1	m'₁₀₀
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\|
Ce1	Ce	0.26270	0.13200	0.00000	8	m_x,m_y,0	0.45	0.15	0.0	0.47

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.00000	0.00000	0.25000	4
Ni2	Ni	0.10930	0.36610	0.00000	8
Ge1	Ge	0.50000	0.00000	0.25000	4
Ge2	Ge	0.00000	0.23460	0.25000	8
Ge3	Ge	0.34800	0.39680	0.00000	8

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 Ce1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26270	0.13200	0.00000	m_x,m_y,0	0.45000	0.15000	0.00000
2	0.23730	0.63200	0.00000	-m_x,m_y,0	-0.45000	0.15000	0.00000
3	0.26270	0.86800	0.50000	m_x,-m_y,0	0.45000	-0.15000	0.00000
4	0.23730	0.36800	0.50000	-m_x,-m_y,0	-0.45000	-0.15000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.76270	0.63200	0.50000	-m_x,-m_y,0	-0.45000	-0.15000	0.00000
6	0.73730	0.13200	0.50000	m_x,-m_y,0	0.45000	-0.15000	0.00000
7	0.76270	0.36800	0.00000	-m_x,m_y,0	-0.45000	0.15000	0.00000
8	0.73730	0.86800	0.00000	m_x,m_y,0	0.45000	0.15000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.75000
4	0.50000	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ni2:

Atom	x	y	z
1	0.10930	0.36610	0.00000
2	0.39070	0.86610	0.00000
3	0.10930	0.63390	0.50000
4	0.39070	0.13390	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.60930	0.86610	0.50000
6	0.89070	0.36610	0.50000
7	0.60930	0.13390	0.00000
8	0.89070	0.63390	0.00000

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.50000	0.00000	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.75000
4	0.00000	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ge2:

Atom	x	y	z
1	0.00000	0.23460	0.25000
2	0.00000	0.76540	0.25000
3	0.00000	0.76540	0.75000
4	0.00000	0.23460	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.73460	0.75000
6	0.50000	0.26540	0.75000
7	0.50000	0.26540	0.25000
8	0.50000	0.73460	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ge3:

Atom	x	y	z
1	0.34800	0.39680	0.00000
2	0.15200	0.89680	0.00000
3	0.34800	0.60320	0.50000
4	0.15200	0.10320	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.84800	0.89680	0.50000
6	0.65200	0.39680	0.50000
7	0.84800	0.10320	0.00000
8	0.65200	0.60320	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.26270	0.13200	0.00000	8	m_x,m_y,0	0.45	0.15	0.0	0.47

label	dim. small irrep	dim. full irrep	action	number of modes
mX3+	1	1	primary	2

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