MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
3	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
4	-x+y,-x,-z,-1	{ -6'⁺₀₀₁ \| 0 }
5	-y,x-y,-z,-1	{ -6'^-₀₀₁ \| 0 }
6	x,y,-z,-1	{ m'₀₀₁ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x+y,-x,z,+1	3^-₀₀₁
3	-y,x-y,z,+1	3⁺₀₀₁
4	-x+y,-x,-z,-1	-6'⁺₀₀₁
5	-y,x-y,-z,-1	-6'^-₀₀₁
6	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1a_1	Tb	0.20453	-0.06757	0.50000	3	m_x,m_y,0	4.895	-4.895	0.0	8.48
Tb1a_2	Tb	0.53787	0.59910	0.50000	3	m_x,m_y,0	-4.47	5.31	0.0	8.48
Tb1a_3	Tb	0.87120	0.26577	0.50000	3	m_x,m_y,0	-9.79	-5.05	0.0	8.48
Tb1b_1	Tb	0.79547	0.40090	0.50000	3	m_x,m_y,0	-1.63	7.55	0.0	8.48
Tb1b_2	Tb	0.12880	0.06757	0.50000	3	m_x,m_y,0	-2.3	-9.39	0.0	8.48
Tb1b_3	Tb	0.46213	0.73423	0.50000	3	m_x,m_y,0	4.67	-5.12	0.0	8.48
Tb2a_1	Tb	0.16813	0.61233	0.00000	3	m_x,m_y,0	-3.38	-9.65	0.0	8.48
Tb2a_2	Tb	0.50147	0.27900	0.00000	3	m_x,m_y,0	5.	9.79	0.0	8.48
Tb2a_3	Tb	0.83480	-0.05433	0.00000	3	m_x,m_y,0	-5.56	-9.76	0.0	8.48
Tb2b_1	Tb	0.83187	0.72100	0.00000	3	m_x,m_y,0	-9.54	-6.7	0.0	8.48
Tb2b_2	Tb	0.16520	0.38767	0.00000	3	m_x,m_y,0	-9.58	-6.55	0.0	8.48
Tb2b_3	Tb	0.49853	0.05433	0.00000	3	m_x,m_y,0	9.49	6.84	0.0	8.48
Tb3a	Tb	0.00000	0.66667	0.31040	6	m_x,m_y,m_z	5.64	9.42	2.13	8.48

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ag1_1	Ag	0.62843	0.11403	0.23610	6
Ag1_2	Ag	0.55263	0.84773	0.23610	6
Ag1_3	Ag	0.81893	0.03823	0.23610	6
Ag1_4	Ag	0.70490	0.88597	0.23610	6
Ag1_5	Ag	0.78070	0.15227	0.23610	6
Ag1_6	Ag	0.51440	0.96177	0.23610	6
Ag2_1	Ag	0.57963	0.20363	0.15220	6
Ag2_2	Ag	0.46303	0.70933	0.15220	6
Ag2_3	Ag	0.95733	0.08703	0.15220	6
Ag2_4	Ag	0.75370	0.79637	0.15220	6
Ag2_5	Ag	0.87030	0.29067	0.15220	6
Ag2_6	Ag	0.37600	0.91297	0.15220	6
Ag3_1	Ag	0.92513	0.18093	0.33090	6
Ag3_2	Ag	0.48573	0.07753	0.33090	6
Ag3_3	Ag	0.58913	0.74153	0.33090	6
Ag3_4	Ag	0.40820	0.81907	0.33090	6
Ag3_5	Ag	0.84760	0.92247	0.33090	6
Ag3_6	Ag	0.74420	0.25847	0.33090	6
Ag4_1	Ag	0.80560	0.09887	0.50000	3
Ag4_2	Ag	0.56780	0.04007	0.50000	3
Ag4_3	Ag	0.62660	0.86107	0.50000	3
Ag4_4	Ag	0.52773	0.90113	0.50000	3
Ag4_5	Ag	0.76553	0.95993	0.50000	3
Ag4_6	Ag	0.70673	0.13893	0.50000	3
Ag5_1	Ag	0.29130	0.37357	0.00000	3
Ag5_2	Ag	0.29310	0.25107	0.00000	3
Ag5_3	Ag	0.41560	0.37537	0.00000	3
Ag5_4	Ag	0.04203	0.62643	0.00000	3
Ag5_5	Ag	0.04023	0.74893	0.00000	3
Ag5_6	Ag	0.91773	0.62463	0.00000	3
Ag6_1	Ag	0.66667	0.33333	0.29940	2
Ag6_2	Ag	0.33333	0.66667	0.29940	2
Ag6_3	Ag	0.00000	0.00000	0.29940	2
Ag6_4	Ag	0.66667	0.66667	0.29940	6
Ag7_1	Ag	0.66667	0.33333	0.00000	1
Ag7_2	Ag	0.33333	0.66667	0.00000	1
Ag7_3	Ag	0.00000	0.00000	0.00000	1
Ag7_4	Ag	0.66667	0.66667	0.00000	3

Atom	x	y	z
1	0.62843	0.11403	0.23610
2	0.48560	0.37157	0.23610
3	0.88597	0.51440	0.23610
4	0.48560	0.37157	0.76390
5	0.88597	0.51440	0.76390
6	0.62843	0.11403	0.76390

Atom	x	y	z
1	0.55263	0.84773	0.23610
2	0.29510	0.44737	0.23610
3	0.15227	0.70490	0.23610
4	0.29510	0.44737	0.76390
5	0.15227	0.70490	0.76390
6	0.55263	0.84773	0.76390

Atom	x	y	z
1	0.81893	0.03823	0.23610
2	0.21930	0.18107	0.23610
3	0.96177	0.78070	0.23610
4	0.21930	0.18107	0.76390
5	0.96177	0.78070	0.76390
6	0.81893	0.03823	0.76390

Atom	x	y	z
1	0.70490	0.88597	0.23610
2	0.18107	0.29510	0.23610
3	0.11403	0.81893	0.23610
4	0.18107	0.29510	0.76390
5	0.11403	0.81893	0.76390
6	0.70490	0.88597	0.76390

Atom	x	y	z
1	0.78070	0.15227	0.23610
2	0.37157	0.21930	0.23610
3	0.84773	0.62843	0.23610
4	0.37157	0.21930	0.76390
5	0.84773	0.62843	0.76390
6	0.78070	0.15227	0.76390

Atom	x	y	z
1	0.51440	0.96177	0.23610
2	0.44737	0.48560	0.23610
3	0.03823	0.55263	0.23610
4	0.44737	0.48560	0.76390
5	0.03823	0.55263	0.76390
6	0.51440	0.96177	0.76390

Atom	x	y	z
1	0.57963	0.20363	0.15220
2	0.62400	0.42037	0.15220
3	0.79637	0.37600	0.15220
4	0.62400	0.42037	0.84780
5	0.79637	0.37600	0.84780
6	0.57963	0.20363	0.84780

Atom	x	y	z
1	0.46303	0.70933	0.15220
2	0.24630	0.53697	0.15220
3	0.29067	0.75370	0.15220
4	0.24630	0.53697	0.84780
5	0.29067	0.75370	0.84780
6	0.46303	0.70933	0.84780

Atom	x	y	z
1	0.95733	0.08703	0.15220
2	0.12970	0.04267	0.15220
3	0.91297	0.87030	0.15220
4	0.12970	0.04267	0.84780
5	0.91297	0.87030	0.84780
6	0.95733	0.08703	0.84780

Atom	x	y	z
1	0.75370	0.79637	0.15220
2	0.04267	0.24630	0.15220
3	0.20363	0.95733	0.15220
4	0.04267	0.24630	0.84780
5	0.20363	0.95733	0.84780
6	0.75370	0.79637	0.84780

Atom	x	y	z
1	0.87030	0.29067	0.15220
2	0.42037	0.12970	0.15220
3	0.70933	0.57963	0.15220
4	0.42037	0.12970	0.84780
5	0.70933	0.57963	0.84780
6	0.87030	0.29067	0.84780

Atom	x	y	z
1	0.37600	0.91297	0.15220
2	0.53697	0.62400	0.15220
3	0.08703	0.46303	0.15220
4	0.53697	0.62400	0.84780
5	0.08703	0.46303	0.84780
6	0.37600	0.91297	0.84780

Atom	x	y	z
1	0.92513	0.18093	0.33090
2	0.25580	0.07487	0.33090
3	0.81907	0.74420	0.33090
4	0.25580	0.07487	0.66910
5	0.81907	0.74420	0.66910
6	0.92513	0.18093	0.66910

Atom	x	y	z
1	0.48573	0.07753	0.33090
2	0.59180	0.51427	0.33090
3	0.92247	0.40820	0.33090
4	0.59180	0.51427	0.66910
5	0.92247	0.40820	0.66910
6	0.48573	0.07753	0.66910

Atom	x	y	z
1	0.58913	0.74153	0.33090
2	0.15240	0.41087	0.33090
3	0.25847	0.84760	0.33090
4	0.15240	0.41087	0.66910
5	0.25847	0.84760	0.66910
6	0.58913	0.74153	0.66910

Atom	x	y	z
1	0.40820	0.81907	0.33090
2	0.41087	0.59180	0.33090
3	0.18093	0.58913	0.33090
4	0.41087	0.59180	0.66910
5	0.18093	0.58913	0.66910
6	0.40820	0.81907	0.66910

Atom	x	y	z
1	0.84760	0.92247	0.33090
2	0.07487	0.15240	0.33090
3	0.07753	0.92513	0.33090
4	0.07487	0.15240	0.66910
5	0.07753	0.92513	0.66910
6	0.84760	0.92247	0.66910

Atom	x	y	z
1	0.74420	0.25847	0.33090
2	0.51427	0.25580	0.33090
3	0.74153	0.48573	0.33090
4	0.51427	0.25580	0.66910
5	0.74153	0.48573	0.66910
6	0.74420	0.25847	0.66910

Atom	x	y	z
1	0.80560	0.09887	0.50000
2	0.29327	0.19440	0.50000
3	0.90113	0.70673	0.50000

Atom	x	y	z
1	0.56780	0.04007	0.50000
2	0.47227	0.43220	0.50000
3	0.95993	0.52773	0.50000

Atom	x	y	z
1	0.62660	0.86107	0.50000
2	0.23447	0.37340	0.50000
3	0.13893	0.76553	0.50000

Atom	x	y	z
1	0.52773	0.90113	0.50000
2	0.37340	0.47227	0.50000
3	0.09887	0.62660	0.50000

[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\|
Tb1a_1	Tb	0.20453	-0.06757	0.50000	3	m_x,m_y,0	4.895	-4.895	0.0	8.48
Tb1a_2	Tb	0.53787	0.59910	0.50000	3	m_x,m_y,0	-4.47	5.31	0.0	8.48
Tb1a_3	Tb	0.87120	0.26577	0.50000	3	m_x,m_y,0	-9.79	-5.05	0.0	8.48
Tb1b_1	Tb	0.79547	0.40090	0.50000	3	m_x,m_y,0	-1.63	7.55	0.0	8.48
Tb1b_2	Tb	0.12880	0.06757	0.50000	3	m_x,m_y,0	-2.3	-9.39	0.0	8.48
Tb1b_3	Tb	0.46213	0.73423	0.50000	3	m_x,m_y,0	4.67	-5.12	0.0	8.48
Tb2a_1	Tb	0.16813	0.61233	0.00000	3	m_x,m_y,0	-3.38	-9.65	0.0	8.48
Tb2a_2	Tb	0.50147	0.27900	0.00000	3	m_x,m_y,0	5.	9.79	0.0	8.48
Tb2a_3	Tb	0.83480	-0.05433	0.00000	3	m_x,m_y,0	-5.56	-9.76	0.0	8.48
Tb2b_1	Tb	0.83187	0.72100	0.00000	3	m_x,m_y,0	-9.54	-6.7	0.0	8.48
Tb2b_2	Tb	0.16520	0.38767	0.00000	3	m_x,m_y,0	-9.58	-6.55	0.0	8.48
Tb2b_3	Tb	0.49853	0.05433	0.00000	3	m_x,m_y,0	9.49	6.84	0.0	8.48
Tb3a	Tb	0.00000	0.66667	0.31040	6	m_x,m_y,m_z	5.64	9.42	2.13	8.48

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1a_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.20453	0.93243	0.50000	m_x,m_y,0	4.89500	-4.89500
2	0.72790	0.79547	0.50000	-m_x+m_y,-m_x,0	-9.79000	-4.89500
3	0.06757	0.27210	0.50000	-m_y,m_x-m_y,0	4.89500	9.79000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1a_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.53787	0.59910	0.50000	m_x,m_y,0	-4.47000	5.31000
2	0.06123	0.46213	0.50000	-m_x+m_y,-m_x,0	9.78000	4.47000
3	0.40090	0.93877	0.50000	-m_y,m_x-m_y,0	-5.31000	-9.78000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1a_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.87120	0.26577	0.50000	m_x,m_y,0	-9.79000	-5.05000
2	0.39457	0.12880	0.50000	-m_x+m_y,-m_x,0	4.74000	9.79000
3	0.73423	0.60543	0.50000	-m_y,m_x-m_y,0	5.05000	-4.74000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1b_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.79547	0.40090	0.50000	m_x,m_y,0	-1.63000	7.55000
2	0.60543	0.20453	0.50000	-m_x+m_y,-m_x,0	9.18000	1.63000
3	0.59910	0.39457	0.50000	-m_y,m_x-m_y,0	-7.55000	-9.18000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1b_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.12880	0.06757	0.50000	m_x,m_y,0	-2.30000	-9.39000
2	0.93877	0.87120	0.50000	-m_x+m_y,-m_x,0	-7.09000	2.30000
3	0.93243	0.06123	0.50000	-m_y,m_x-m_y,0	9.39000	7.09000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1b_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.46213	0.73423	0.50000	m_x,m_y,0	4.67000	-5.12000
2	0.27210	0.53787	0.50000	-m_x+m_y,-m_x,0	-9.79000	-4.67000
3	0.26577	0.72790	0.50000	-m_y,m_x-m_y,0	5.12000	9.79000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2a_1:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.16813	0.61233	m_x,m_y,0	-3.38000	-9.65000
2	0.44420	0.83187	-m_x+m_y,-m_x,0	-6.27000	3.38000
3	0.38767	0.55580	-m_y,m_x-m_y,0	9.65000	6.27000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2a_2:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.50147	0.27900	m_x,m_y,0	5.00000	9.79000
2	0.77753	0.49853	-m_x+m_y,-m_x,0	4.79000	-5.00000
3	0.72100	0.22247	-m_y,m_x-m_y,0	-9.79000	-4.79000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2a_3:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.83480	0.94567	m_x,m_y,0	-5.56000	-9.76000
2	0.11087	0.16520	-m_x+m_y,-m_x,0	-4.20000	5.56000
3	0.05433	0.88913	-m_y,m_x-m_y,0	9.76000	4.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2b_1:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.83187	0.72100	m_x,m_y,0	-9.54000	-6.70000
2	0.88913	0.16813	-m_x+m_y,-m_x,0	2.84000	9.54000
3	0.27900	0.11087	-m_y,m_x-m_y,0	6.70000	-2.84000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2b_2:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.16520	0.38767	m_x,m_y,0	-9.58000	-6.55000
2	0.22247	0.83480	-m_x+m_y,-m_x,0	3.03000	9.58000
3	0.61233	0.77753	-m_y,m_x-m_y,0	6.55000	-3.03000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2b_3:

Atom	x	y	Symmetry constraints on M	M_x	M_y
1	0.49853	0.05433	m_x,m_y,0	9.49000	6.84000
2	0.55580	0.50147	-m_x+m_y,-m_x,0	-2.65000	-9.49000
3	0.94567	0.44420	-m_y,m_x-m_y,0	-6.84000	2.65000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb3a:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.66667	0.31040	m_x,m_y,m_z	5.64000	9.42000	2.13000
2	0.66667	0.00000	0.31040	-m_x+m_y,-m_x,m_z	3.78000	-5.64000	2.13000
3	0.33333	0.33333	0.31040	-m_y,m_x-m_y,m_z	-9.42000	-3.78000	2.13000
4	0.66667	0.00000	0.68960	-m_x+m_y,-m_x,-m_z	3.78000	-5.64000	-2.13000
5	0.33333	0.33333	0.68960	-m_y,m_x-m_y,-m_z	-9.42000	-3.78000	-2.13000
6	0.00000	0.66667	0.68960	m_x,m_y,-m_z	5.64000	9.42000	-2.13000

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

Tb₁₄Ag₅₁ (#1.0.52)

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mK4K6	4	2	special	primary	18
mGM2+	1	1		secondary	4	yes
mGM1-	1	1		secondary	5	yes

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

Tb14Ag51 (#1.0.52)

Tb₁₄Ag₅₁ (#1.0.52)