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 Fe1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | -1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.20000 | 0.00000 | 2my,my,mz | 0.00000 | 0.00000 | 1.00000 |
2 | 0.80000 | 0.80000 | 0.00000 | -my,my,mz | 0.00000 | 0.00000 | 1.00000 |
3 | 0.20000 | 0.00000 | 0.00000 | -my,-2my,mz | 0.00000 | 0.00000 | 1.00000 |
4 | 0.00000 | 0.80000 | 0.00000 | 2my,my,mz | 0.00000 | 0.00000 | 1.00000 |
5 | 0.20000 | 0.20000 | 0.00000 | -my,my,mz | 0.00000 | 0.00000 | 1.00000 |
6 | 0.80000 | 0.00000 | 0.00000 | -my,-2my,mz | 0.00000 | 0.00000 | 1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.40000 | 0.00000 | 2my,my,mz | 0.00000 | 0.00000 | 1.00000 |
2 | 0.60000 | 0.60000 | 0.00000 | -my,my,mz | 0.00000 | 0.00000 | 1.00000 |
3 | 0.40000 | 0.00000 | 0.00000 | -my,-2my,mz | 0.00000 | 0.00000 | 1.00000 |
4 | 0.00000 | 0.60000 | 0.00000 | 2my,my,mz | 0.00000 | 0.00000 | 1.00000 |
5 | 0.40000 | 0.40000 | 0.00000 | -my,my,mz | 0.00000 | 0.00000 | 1.00000 |
6 | 0.60000 | 0.00000 | 0.00000 | -my,-2my,mz | 0.00000 | 0.00000 | 1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.20000 | 0.40000 | 0.00000 | mx,2mx,mz | 0.00000 | 0.00000 | 1.00000 |
2 | 0.60000 | 0.80000 | 0.00000 | -2mx,-mx,mz | 0.00000 | 0.00000 | 1.00000 |
3 | 0.20000 | 0.80000 | 0.00000 | mx,-mx,mz | 0.00000 | 0.00000 | 1.00000 |
4 | 0.80000 | 0.60000 | 0.00000 | mx,2mx,mz | 0.00000 | 0.00000 | 1.00000 |
5 | 0.40000 | 0.20000 | 0.00000 | -2mx,-mx,mz | 0.00000 | 0.00000 | 1.00000 |
6 | 0.80000 | 0.20000 | 0.00000 | mx,-mx,mz | 0.00000 | 0.00000 | 1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_5:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.20000 | 0.60000 | 0.00000 | 2my,my,mz | 0.00000 | 0.00000 | -1.00000 |
2 | 0.40000 | 0.60000 | 0.00000 | -my,my,mz | 0.00000 | 0.00000 | -1.00000 |
3 | 0.40000 | 0.80000 | 0.00000 | -my,-2my,mz | 0.00000 | 0.00000 | -1.00000 |
4 | 0.80000 | 0.40000 | 0.00000 | 2my,my,mz | 0.00000 | 0.00000 | -1.00000 |
5 | 0.60000 | 0.40000 | 0.00000 | -my,my,mz | 0.00000 | 0.00000 | -1.00000 |
6 | 0.60000 | 0.20000 | 0.00000 | -my,-2my,mz | 0.00000 | 0.00000 | -1.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom I1_1:
Atom | x | y | z |
1 | 0.06667 | 0.13333 | 0.25000 |
2 | 0.86667 | 0.93334 | 0.25000 |
3 | 0.06666 | 0.93333 | 0.25000 |
4 | 0.93333 | 0.86667 | 0.75000 |
5 | 0.13333 | 0.06666 | 0.75000 |
6 | 0.93334 | 0.06667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom I1_2:
Atom | x | y | z |
1 | 0.06667 | 0.33333 | 0.25000 |
2 | 0.66667 | 0.73334 | 0.25000 |
3 | 0.26666 | 0.93333 | 0.25000 |
4 | 0.93333 | 0.66667 | 0.75000 |
5 | 0.33333 | 0.26666 | 0.75000 |
6 | 0.73334 | 0.06667 | 0.75000 |
7 | 0.73334 | 0.66667 | 0.75000 |
8 | 0.33333 | 0.06667 | 0.75000 |
9 | 0.93333 | 0.26666 | 0.75000 |
10 | 0.26666 | 0.33333 | 0.25000 |
11 | 0.66667 | 0.93333 | 0.25000 |
12 | 0.06667 | 0.73334 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom I1_3:
Atom | x | y | z |
1 | 0.13333 | 0.26667 | 0.75000 |
2 | 0.73333 | 0.86666 | 0.75000 |
3 | 0.13334 | 0.86667 | 0.75000 |
4 | 0.86667 | 0.73333 | 0.25000 |
5 | 0.26667 | 0.13334 | 0.25000 |
6 | 0.86666 | 0.13333 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom I1_4:
Atom | x | y | z |
1 | 0.06667 | 0.53333 | 0.25000 |
2 | 0.46667 | 0.53334 | 0.25000 |
3 | 0.46666 | 0.93333 | 0.25000 |
4 | 0.93333 | 0.46667 | 0.75000 |
5 | 0.53333 | 0.46666 | 0.75000 |
6 | 0.53334 | 0.06667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom I1_5:
Atom | x | y | z |
1 | 0.13333 | 0.46667 | 0.75000 |
2 | 0.53333 | 0.66666 | 0.75000 |
3 | 0.33334 | 0.86667 | 0.75000 |
4 | 0.86667 | 0.53333 | 0.25000 |
5 | 0.46667 | 0.33334 | 0.25000 |
6 | 0.66666 | 0.13333 | 0.25000 |
7 | 0.66666 | 0.53333 | 0.25000 |
8 | 0.46667 | 0.13333 | 0.25000 |
9 | 0.86667 | 0.33334 | 0.25000 |
10 | 0.33334 | 0.46667 | 0.75000 |
11 | 0.53333 | 0.86667 | 0.75000 |
12 | 0.13333 | 0.66666 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom I1_6:
Atom | x | y | z |
1 | 0.26667 | 0.53333 | 0.25000 |
2 | 0.46667 | 0.73334 | 0.25000 |
3 | 0.26666 | 0.73333 | 0.25000 |
4 | 0.73333 | 0.46667 | 0.75000 |
5 | 0.53333 | 0.26666 | 0.75000 |
6 | 0.73334 | 0.26667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom I1_7:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.75000 |
2 | 0.66667 | 0.33333 | 0.25000 |
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