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-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
6	-x,-x+y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
9	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
10	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
11	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
12	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/3,2/3,1/3) + set click here to show and hide
13	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
14	-y+1/3,x-y+2/3,z+1/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 1/3 }
15	-x+y+1/3,-x+2/3,z+1/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 1/3 }
16	x-y+1/3,-y+2/3,-z+5/6,+1	{ 2₁₀₀ \| 1/3 2/3 5/6 }
17	y+1/3,x+2/3,-z+5/6,+1	{ 2₁₁₀ \| 1/3 2/3 5/6 }
18	-x+1/3,-x+y+2/3,-z+5/6,+1	{ 2₀₁₀ \| 1/3 2/3 5/6 }
19	-x+1/3,-y+2/3,-z+1/3,+1	{ -1 \| 1/3 2/3 1/3 }
20	y+1/3,-x+y+2/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 1/3 }
21	x-y+1/3,x+2/3,-z+1/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 1/3 }
22	-x+y+1/3,y+2/3,z+5/6,+1	{ m₁₀₀ \| 1/3 2/3 5/6 }
23	-y+1/3,-x+2/3,z+5/6,+1	{ m₁₁₀ \| 1/3 2/3 5/6 }
24	x+1/3,x-y+2/3,z+5/6,+1	{ m₀₁₀ \| 1/3 2/3 5/6 }
(2/3,1/3,2/3) + set click here to show and hide
25	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
26	-y+2/3,x-y+1/3,z+2/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 2/3 }
27	-x+y+2/3,-x+1/3,z+2/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 2/3 }
28	x-y+2/3,-y+1/3,-z+1/6,+1	{ 2₁₀₀ \| 2/3 1/3 1/6 }
29	y+2/3,x+1/3,-z+1/6,+1	{ 2₁₁₀ \| 2/3 1/3 1/6 }
30	-x+2/3,-x+y+1/3,-z+1/6,+1	{ 2₀₁₀ \| 2/3 1/3 1/6 }
31	-x+2/3,-y+1/3,-z+2/3,+1	{ -1 \| 2/3 1/3 2/3 }
32	y+2/3,-x+y+1/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 2/3 }
33	x-y+2/3,x+1/3,-z+2/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 2/3 }
34	-x+y+2/3,y+1/3,z+1/6,+1	{ m₁₀₀ \| 2/3 1/3 1/6 }
35	-y+2/3,-x+1/3,z+1/6,+1	{ m₁₁₀ \| 2/3 1/3 1/6 }
36	x+2/3,x-y+1/3,z+1/6,+1	{ m₀₁₀ \| 2/3 1/3 1/6 }
(0,0,1/2)' + set click here to show and hide
37	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
38	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
39	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
40	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
41	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
42	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
43	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
44	y,-x+y,-z+1/2,-1	{ -3'⁺₀₀₁ \| 0 0 1/2 }
45	x-y,x,-z+1/2,-1	{ -3'^-₀₀₁ \| 0 0 1/2 }
46	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
47	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
48	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
(1/3,2/3,5/6)' + set click here to show and hide
49	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
50	-y+1/3,x-y+2/3,z+5/6,-1	{ 3'⁺₀₀₁ \| 1/3 2/3 5/6 }
51	-x+y+1/3,-x+2/3,z+5/6,-1	{ 3'^-₀₀₁ \| 1/3 2/3 5/6 }
52	x-y+1/3,-y+2/3,-z+1/3,-1	{ 2'₁₀₀ \| 1/3 2/3 1/3 }
53	y+1/3,x+2/3,-z+1/3,-1	{ 2'₁₁₀ \| 1/3 2/3 1/3 }
54	-x+1/3,-x+y+2/3,-z+1/3,-1	{ 2'₀₁₀ \| 1/3 2/3 1/3 }
55	-x+1/3,-y+2/3,-z+5/6,-1	{ -1' \| 1/3 2/3 5/6 }
56	y+1/3,-x+y+2/3,-z+5/6,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 5/6 }
57	x-y+1/3,x+2/3,-z+5/6,-1	{ -3'^-₀₀₁ \| 1/3 2/3 5/6 }
58	-x+y+1/3,y+2/3,z+1/3,-1	{ m'₁₀₀ \| 1/3 2/3 1/3 }
59	-y+1/3,-x+2/3,z+1/3,-1	{ m'₁₁₀ \| 1/3 2/3 1/3 }
60	x+1/3,x-y+2/3,z+1/3,-1	{ m'₀₁₀ \| 1/3 2/3 1/3 }
(2/3,1/3,1/6)' + set click here to show and hide
61	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
62	-y+2/3,x-y+1/3,z+1/6,-1	{ 3'⁺₀₀₁ \| 2/3 1/3 1/6 }
63	-x+y+2/3,-x+1/3,z+1/6,-1	{ 3'^-₀₀₁ \| 2/3 1/3 1/6 }
64	x-y+2/3,-y+1/3,-z+2/3,-1	{ 2'₁₀₀ \| 2/3 1/3 2/3 }
65	y+2/3,x+1/3,-z+2/3,-1	{ 2'₁₁₀ \| 2/3 1/3 2/3 }
66	-x+2/3,-x+y+1/3,-z+2/3,-1	{ 2'₀₁₀ \| 2/3 1/3 2/3 }
67	-x+2/3,-y+1/3,-z+1/6,-1	{ -1' \| 2/3 1/3 1/6 }
68	y+2/3,-x+y+1/3,-z+1/6,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 1/6 }
69	x-y+2/3,x+1/3,-z+1/6,-1	{ -3'^-₀₀₁ \| 2/3 1/3 1/6 }
70	-x+y+2/3,y+1/3,z+2/3,-1	{ m'₁₀₀ \| 2/3 1/3 2/3 }
71	-y+2/3,-x+1/3,z+2/3,-1	{ m'₁₁₀ \| 2/3 1/3 2/3 }
72	x+2/3,x-y+1/3,z+2/3,-1	{ m'₀₁₀ \| 2/3 1/3 2/3 }

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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-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
7	-x,-y,-z,+1	-1
8	y,-x+y,-z,+1	-3⁺₀₀₁
9	x-y,x,-z,+1	-3^-₀₀₁
10	-x+y,y,z,+1	m₁₀₀
11	-y,-x,z,+1	m₁₁₀
12	x,x-y,z,+1	m₀₁₀
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x-y,-y,-z,-1	2'₁₀₀
17	y,x,-z,-1	2'₁₁₀
18	-x,-x+y,-z,-1	2'₀₁₀
19	-x,-y,-z,-1	-1'
20	y,-x+y,-z,-1	-3'⁺₀₀₁
21	x-y,x,-z,-1	-3'^-₀₀₁
22	-x+y,y,z,-1	m'₁₀₀
23	-y,-x,z,-1	m'₁₁₀
24	x,x-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.82	6	0,0,m_z	0.0	0.0	4.7(1)	4.70

Non-magnetic atoms:

Label	Atom type	z	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.18	6
Bi2	Bi	0.21245	0.994	12
Mn2	Mn	0.21245	0.006	12
Te1	Te	0.06668	1.	12
Te2	Te	0.14703	1.	12

[Show all atoms in unit cell and their moment relations]

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.70000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	0,0,m_z	0.00000	0.00000	4.70000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	0,0,m_z	0.00000	0.00000	4.70000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-4.70000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333	0,0,-m_z	0.00000	0.00000	-4.70000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667	0,0,-m_z	0.00000	0.00000	-4.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

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

Set of atoms in the unit cell related by symmetry with the atom Bi2:

Atom	x	y	z
1	0.00000	0.00000	0.21245
2	0.00000	0.00000	0.28755
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.54578
4	0.33333	0.66667	0.62088
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.87912
6	0.66667	0.33333	0.95422
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.71245
8	0.00000	0.00000	0.78755
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.04578
10	0.33333	0.66667	0.12088
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.37912
12	0.66667	0.33333	0.45422

Set of atoms in the unit cell related by symmetry with the atom Mn2:

Atom	x	y	z
1	0.00000	0.00000	0.21245
2	0.00000	0.00000	0.28755
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.54578
4	0.33333	0.66667	0.62088
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.87912
6	0.66667	0.33333	0.95422
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.71245
8	0.00000	0.00000	0.78755
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.04578
10	0.33333	0.66667	0.12088
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.37912
12	0.66667	0.33333	0.45422

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.00000	0.00000	0.06668
2	0.00000	0.00000	0.43332
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.40001
4	0.33333	0.66667	0.76665
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.73335
6	0.66667	0.33333	0.09999
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.56668
8	0.00000	0.00000	0.93332
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.90001
10	0.33333	0.66667	0.26665
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.23335
12	0.66667	0.33333	0.59999

Set of atoms in the unit cell related by symmetry with the atom Te2:

Atom	x	y	z
1	0.00000	0.00000	0.14703
2	0.00000	0.00000	0.35297
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.48036
4	0.33333	0.66667	0.68630
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.81370
6	0.66667	0.33333	0.01964
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.64703
8	0.00000	0.00000	0.85297
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.98036
10	0.33333	0.66667	0.18630
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.31370
12	0.66667	0.33333	0.51964

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.82	6	0,0,m_z	0.0	0.0	4.7(1)	4.70

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. small irrep	dim. full irrep	action	number of modes
mT2+	1	1	primary	1

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

MnBi₂Te₄ (#1.309)

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

MnBi2Te4 (#1.309)

MnBi₂Te₄ (#1.309)