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 | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.00000 | -4.53000 | -1.07000 |
2 | 0.00000 | 0.50000 | 0.00000 | -mx,my,mz | 0.00000 | -4.53000 | -1.07000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.75000 | 0.50000 | mx,my,mz | 0.00000 | -4.53000 | -1.07000 |
2 | 0.50000 | 0.25000 | 0.50000 | -mx,my,mz | 0.00000 | -4.53000 | -1.07000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.25000 | mx,my,mz | 0.00000 | -4.53000 | 1.07000 |
2 | 0.00000 | 0.75000 | 0.25000 | -mx,my,mz | 0.00000 | -4.53000 | 1.07000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.50000 | 0.75000 | mx,my,mz | 0.00000 | -4.53000 | 1.07000 |
2 | 0.50000 | 0.00000 | 0.75000 | -mx,my,mz | 0.00000 | -4.53000 | 1.07000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.87500 | 0.62500 | mx,my,mz | 0.00000 | 1.25000 | -3.32000 |
2 | 0.00000 | 0.37500 | 0.62500 | -mx,my,mz | 0.00000 | 1.25000 | -3.32000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.37500 | 0.12500 | mx,my,mz | 0.00000 | 1.25000 | 3.32000 |
2 | 0.50000 | 0.87500 | 0.12500 | -mx,my,mz | 0.00000 | 1.25000 | 3.32000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.12500 | 0.12500 | mx,my,mz | 0.00000 | 1.25000 | -3.32000 |
2 | 0.50000 | 0.62500 | 0.12500 | -mx,my,mz | 0.00000 | 1.25000 | -3.32000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.62500 | 0.62500 | mx,my,mz | 0.00000 | 1.25000 | 3.32000 |
2 | 0.00000 | 0.12500 | 0.62500 | -mx,my,mz | 0.00000 | 1.25000 | 3.32000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_5:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.87500 | mx,my,mz | -1.29000 | 1.43000 | 2.98000 |
2 | 0.75000 | 0.75000 | 0.87500 | -mx,my,mz | 1.29000 | 1.43000 | 2.98000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_6:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.75000 | 0.87500 | mx,my,mz | -1.29000 | 1.43000 | -2.98000 |
2 | 0.75000 | 0.25000 | 0.87500 | -mx,my,mz | 1.29000 | 1.43000 | -2.98000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_7:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75000 | 0.00000 | 0.37500 | mx,my,mz | -1.29000 | 1.43000 | 2.98000 |
2 | 0.25000 | 0.50000 | 0.37500 | -mx,my,mz | 1.29000 | 1.43000 | 2.98000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_8:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75000 | 0.50000 | 0.37500 | mx,my,mz | -1.29000 | 1.43000 | -2.98000 |
2 | 0.25000 | 0.00000 | 0.37500 | -mx,my,mz | 1.29000 | 1.43000 | -2.98000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.11040 | 0.38340 |
2 | 0.00000 | 0.61040 | 0.38340 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.50000 | 0.61040 | 0.36660 |
2 | 0.50000 | 0.11040 | 0.36660 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.00000 | 0.13960 | 0.86660 |
2 | 0.00000 | 0.63960 | 0.86660 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.50000 | 0.63960 | 0.88340 |
2 | 0.50000 | 0.13960 | 0.88340 |
Set of atoms in the unit cell related by symmetry with the atom O1_5:
Atom | x | y | z |
1 | 0.77920 | 0.25000 | 0.63340 |
2 | 0.22080 | 0.75000 | 0.63340 |
Set of atoms in the unit cell related by symmetry with the atom O1_6:
Atom | x | y | z |
1 | 0.72080 | 0.75000 | 0.11660 |
2 | 0.27920 | 0.25000 | 0.11660 |
Set of atoms in the unit cell related by symmetry with the atom O1_7:
Atom | x | y | z |
1 | 0.22080 | 0.00000 | 0.61660 |
2 | 0.77920 | 0.50000 | 0.61660 |
Set of atoms in the unit cell related by symmetry with the atom O1_8:
Atom | x | y | z |
1 | 0.27920 | 0.50000 | 0.13340 |
2 | 0.72080 | 0.00000 | 0.13340 |
Set of atoms in the unit cell related by symmetry with the atom O1_9:
Atom | x | y | z |
1 | 0.72080 | 0.25000 | 0.11660 |
2 | 0.27920 | 0.75000 | 0.11660 |
Set of atoms in the unit cell related by symmetry with the atom O1_10:
Atom | x | y | z |
1 | 0.77920 | 0.75000 | 0.63340 |
2 | 0.22080 | 0.25000 | 0.63340 |
Set of atoms in the unit cell related by symmetry with the atom O1_11:
Atom | x | y | z |
1 | 0.27920 | 0.00000 | 0.13340 |
2 | 0.72080 | 0.50000 | 0.13340 |
Set of atoms in the unit cell related by symmetry with the atom O1_12:
Atom | x | y | z |
1 | 0.22080 | 0.50000 | 0.61660 |
2 | 0.77920 | 0.00000 | 0.61660 |
Set of atoms in the unit cell related by symmetry with the atom O1_13:
Atom | x | y | z |
1 | 0.50000 | 0.36040 | 0.88340 |
2 | 0.50000 | 0.86040 | 0.88340 |
Set of atoms in the unit cell related by symmetry with the atom O1_14:
Atom | x | y | z |
1 | 0.00000 | 0.86040 | 0.86660 |
2 | 0.00000 | 0.36040 | 0.86660 |
Set of atoms in the unit cell related by symmetry with the atom O1_15:
Atom | x | y | z |
1 | 0.50000 | 0.88960 | 0.36660 |
2 | 0.50000 | 0.38960 | 0.36660 |
Set of atoms in the unit cell related by symmetry with the atom O1_16:
Atom | x | y | z |
1 | 0.00000 | 0.38960 | 0.38340 |
2 | 0.00000 | 0.88960 | 0.38340 |
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