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	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
7	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
8	-x,-y,z,-1	{ 2'₀₀₁ \| 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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

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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_1	Pr	0.00000	0.00000	0.38072	4	m_x,m_y,0	-1.03	-0.683	0.0	1.24
Pr1_2	Pr	0.00000	0.00000	0.61928	4	m_x,m_y,0	-1.03	-0.683	0.0	1.24

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1	Pd	0.00000	0.00000	0.25000	4
Ge1	Ge	0.00000	0.50000	0.14760	4
Ge2	Ge	0.00000	0.50000	0.34553	4
Ge3	Ge	0.27980	0.77980	0.45712	8
Al1	Al	0.74290	0.24290	0.29520	8
Al2	Al	0.24300	0.74300	0.20540	8
Al3	Al	0.00000	0.50000	0.42890	4
Al4	Al	0.20150	0.70150	0.03720	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 Pr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.38072	m_x,m_y,0	-1.03000	-0.68300	0.00000
2	0.50000	0.50000	0.61928	m_x,-m_y,0	-1.03000	0.68300	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.88072	-m_x,-m_y,0	1.03000	0.68300	0.00000
4	0.50000	0.50000	0.11928	-m_x,m_y,0	1.03000	-0.68300	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Pr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.61928	m_x,m_y,0	-1.03000	-0.68300	0.00000
2	0.50000	0.50000	0.38072	m_x,-m_y,0	-1.03000	0.68300	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.11928	-m_x,-m_y,0	1.03000	0.68300	0.00000
4	0.50000	0.50000	0.88072	-m_x,m_y,0	1.03000	-0.68300	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pd1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.50000	0.50000	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.75000
4	0.50000	0.50000	0.25000

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

Atom	x	y	z
1	0.00000	0.50000	0.14760
2	0.50000	0.00000	0.85240
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.64760
4	0.50000	0.00000	0.35240

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

Atom	x	y	z
1	0.00000	0.50000	0.34553
2	0.50000	0.00000	0.65447
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.84553
4	0.50000	0.00000	0.15447

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

Atom	x	y	z
1	0.27980	0.77980	0.45712
2	0.77980	0.72020	0.54288
3	0.22020	0.27980	0.04288
4	0.72020	0.22020	0.95712
(0,0,1/2)' + set click here to show and hide
5	0.27980	0.77980	0.95712
6	0.77980	0.72020	0.04288
7	0.22020	0.27980	0.54288
8	0.72020	0.22020	0.45712

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

Atom	x	y	z
1	0.74290	0.24290	0.29520
2	0.24290	0.25710	0.70480
3	0.75710	0.74290	0.20480
4	0.25710	0.75710	0.79520
(0,0,1/2)' + set click here to show and hide
5	0.74290	0.24290	0.79520
6	0.24290	0.25710	0.20480
7	0.75710	0.74290	0.70480
8	0.25710	0.75710	0.29520

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

Atom	x	y	z
1	0.24300	0.74300	0.20540
2	0.74300	0.75700	0.79460
3	0.25700	0.24300	0.29460
4	0.75700	0.25700	0.70540
(0,0,1/2)' + set click here to show and hide
5	0.24300	0.74300	0.70540
6	0.74300	0.75700	0.29460
7	0.25700	0.24300	0.79460
8	0.75700	0.25700	0.20540

Set of atoms in the unit cell related by symmetry with the atom Al3:

Atom	x	y	z
1	0.00000	0.50000	0.42890
2	0.50000	0.00000	0.57110
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.92890
4	0.50000	0.00000	0.07110

Set of atoms in the unit cell related by symmetry with the atom Al4:

Atom	x	y	z
1	0.20150	0.70150	0.03720
2	0.70150	0.79850	0.96280
3	0.29850	0.20150	0.46280
4	0.79850	0.29850	0.53720
(0,0,1/2)' + set click here to show and hide
5	0.20150	0.70150	0.53720
6	0.70150	0.79850	0.46280
7	0.29850	0.20150	0.96280
8	0.79850	0.29850	0.03720

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1_1	Pr	0.00000	0.00000	0.38072	4	m_x,m_y,0	-1.03	-0.683	0.0	1.24
Pr1_2	Pr	0.00000	0.00000	0.61928	4	m_x,m_y,0	-1.03	-0.683	0.0	1.24

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5	2	2	special	primary	4

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