MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Mn1_1	Mn	0.00000	0.00000	4	m_x,m_y,m_z	2.8	2.80
Mn1_2	Mn	0.33333	0.00000	4	m_x,m_y,m_z	-2.8	2.80
Mn1_3	Mn	0.50000	0.50000	4	m_x,m_y,m_z	-2.8	2.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Se1_1	Se	0.13119	0.39357	0.39357	4
Se1_2	Se	0.86881	0.89358	0.10642	4
Se1_3	Se	0.46453	0.39358	0.39358	4
Se1_4	Se	0.36881	0.60642	0.89358	4
Se1_5	Se	0.20214	0.89358	0.10642	4
Se1_6	Se	0.63119	0.10642	0.60642	4

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_1:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	2.80000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-2.80000
3	0.16667	0.00000	0.50000	m_x,m_y,-m_z	2.80000
4	0.16667	0.50000	0.00000	-m_x,m_y,m_z	-2.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.33333	0.00000	0.00000	m_x,m_y,m_z	-2.80000
2	0.33333	0.50000	0.50000	-m_x,m_y,-m_z	2.80000
3	0.83334	0.00000	0.50000	m_x,m_y,-m_z	-2.80000
4	0.83334	0.50000	0.00000	-m_x,m_y,m_z	2.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	-2.80000
2	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	2.80000
3	0.66667	0.00000	0.00000	m_x,m_y,-m_z	-2.80000
4	0.66667	0.50000	0.50000	-m_x,m_y,m_z	2.80000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Set of atoms in the unit cell related by symmetry with the atom Se1_3:

Set of atoms in the unit cell related by symmetry with the atom Se1_4:

Set of atoms in the unit cell related by symmetry with the atom Se1_5:

Set of atoms in the unit cell related by symmetry with the atom Se1_6:

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Label	Atom type	x	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Mn1_1	Mn	0.00000	0.00000	4	m_x,m_y,m_z	2.8	2.80
Mn1_2	Mn	0.33333	0.00000	4	m_x,m_y,m_z	-2.8	2.80
Mn1_3	Mn	0.50000	0.50000	4	m_x,m_y,m_z	-2.8	2.80

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