MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
1/8	a_p
1/8	b_p
1/8	c_p

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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+1/4,x+3/4,-z+3/4,+1	{ 2₁₁₀ \| 1/4 3/4 3/4 }
3	-y+1/4,-x+3/4,-z+3/4,+1	{ 2_1-10 \| 1/4 3/4 3/4 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
6	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
7	x+3/4,-y+3/4,z+1/4,+1	{ m₀₁₀ \| 3/4 3/4 1/4 }
8	-x+3/4,y+3/4,z+1/4,+1	{ m₁₀₀ \| 3/4 3/4 1/4 }
9	-y+1/4,x+1/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/4 1/4 1/4 }
10	y+1/4,-x+1/4,z+1/4,-1	{ 4'^-₀₀₁ \| 1/4 1/4 1/4 }
11	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
12	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
13	-x+3/4,-y+1/4,-z+3/4,-1	{ -1' \| 3/4 1/4 3/4 }
14	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
15	y,x,z,-1	{ m'_1-10 \| 0 }
16	x+3/4,y+1/4,-z+3/4,-1	{ m'₀₀₁ \| 3/4 1/4 3/4 }
(0,1/2,1/2) + set click here to show and hide
17	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
18	y+1/4,x+1/4,-z+1/4,+1	{ 2₁₁₀ \| 1/4 1/4 1/4 }
19	-y+1/4,-x+1/4,-z+1/4,+1	{ 2_1-10 \| 1/4 1/4 1/4 }
20	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
21	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
22	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
23	x+3/4,-y+1/4,z+3/4,+1	{ m₀₁₀ \| 3/4 1/4 3/4 }
24	-x+3/4,y+1/4,z+3/4,+1	{ m₁₀₀ \| 3/4 1/4 3/4 }
25	-y+1/4,x+3/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 1/4 3/4 3/4 }
26	y+1/4,-x+3/4,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 3/4 3/4 }
27	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
28	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
29	-x+3/4,-y+3/4,-z+1/4,-1	{ -1' \| 3/4 3/4 1/4 }
30	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
31	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
32	x+3/4,y+3/4,-z+1/4,-1	{ m'₀₀₁ \| 3/4 3/4 1/4 }
(1/2,0,1/2) + set click here to show and hide
33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	y+3/4,x+3/4,-z+1/4,+1	{ 2₁₁₀ \| 3/4 3/4 1/4 }
35	-y+3/4,-x+3/4,-z+1/4,+1	{ 2_1-10 \| 3/4 3/4 1/4 }
36	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
37	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
38	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
39	x+1/4,-y+3/4,z+3/4,+1	{ m₀₁₀ \| 1/4 3/4 3/4 }
40	-x+1/4,y+3/4,z+3/4,+1	{ m₁₀₀ \| 1/4 3/4 3/4 }
41	-y+3/4,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 3/4 1/4 3/4 }
42	y+3/4,-x+1/4,z+3/4,-1	{ 4'^-₀₀₁ \| 3/4 1/4 3/4 }
43	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
44	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
45	-x+1/4,-y+1/4,-z+1/4,-1	{ -1' \| 1/4 1/4 1/4 }
46	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
47	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
48	x+1/4,y+1/4,-z+1/4,-1	{ m'₀₀₁ \| 1/4 1/4 1/4 }
(1/2,1/2,0) + set click here to show and hide
49	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
50	y+3/4,x+1/4,-z+3/4,+1	{ 2₁₁₀ \| 3/4 1/4 3/4 }
51	-y+3/4,-x+1/4,-z+3/4,+1	{ 2_1-10 \| 3/4 1/4 3/4 }
52	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
53	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
54	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
55	x+1/4,-y+1/4,z+1/4,+1	{ m₀₁₀ \| 1/4 1/4 1/4 }
56	-x+1/4,y+1/4,z+1/4,+1	{ m₁₀₀ \| 1/4 1/4 1/4 }
57	-y+3/4,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 3/4 3/4 1/4 }
58	y+3/4,-x+3/4,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 3/4 1/4 }
59	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
60	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
61	-x+1/4,-y+3/4,-z+3/4,-1	{ -1' \| 1/4 3/4 3/4 }
62	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
63	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
64	x+1/4,y+3/4,-z+3/4,-1	{ m'₀₀₁ \| 1/4 3/4 3/4 }

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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	y,-x,-z,+1	-4⁺₀₀₁
6	-y,x,-z,+1	-4^-₀₀₁
7	x,-y,z,+1	m₀₁₀
8	-x,y,z,+1	m₁₀₀
9	-y,x,z,-1	4'⁺₀₀₁
10	y,-x,z,-1	4'^-₀₀₁
11	-x,y,-z,-1	2'₀₁₀
12	x,-y,-z,-1	2'₁₀₀
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\|
Np1	Np	0.25000	0.25000	0.25000	8	0,0,m_z	0.0	0.0	0.5(1)	0.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Co1	Co	0.62500	0.62500	0.62500	16

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	0.50000
2	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-0.50000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	0.50000
4	0.50000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	0.50000
6	0.00000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-0.50000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	0.50000
8	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-0.50000

Atom	x	y	z
1	0.62500	0.62500	0.62500
2	0.87500	0.37500	0.12500
3	0.12500	0.37500	0.87500
4	0.87500	0.62500	0.87500
(0,1/2,1/2) + set click here to show and hide
5	0.62500	0.12500	0.12500
6	0.87500	0.87500	0.62500
7	0.12500	0.87500	0.37500
8	0.87500	0.12500	0.37500
(1/2,0,1/2) + set click here to show and hide
9	0.12500	0.62500	0.12500
10	0.37500	0.37500	0.62500
11	0.62500	0.37500	0.37500
12	0.37500	0.62500	0.37500
(1/2,1/2,0) + set click here to show and hide
13	0.12500	0.12500	0.62500
14	0.37500	0.87500	0.12500
15	0.62500	0.87500	0.87500
16	0.37500	0.12500	0.87500

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Np1	Np	0.25000	0.25000	0.25000	8	0,0,m_z	0.0	0.0	0.5(1)	0.50

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	0.50000
2	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-0.50000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	0.50000
4	0.50000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	0.50000
6	0.00000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-0.50000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	0.50000
8	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-0.50000

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5-	3	3	special	primary	1

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

NpCo₂ (#0.126)

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

NpCo2 (#0.126)

NpCo₂ (#0.126)