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:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.74580 | 0.50000 | 0.00000 | mx,0,0 | -2.03000 | 0.00000 | 0.00000 |
2 | 0.25420 | 0.50000 | 0.00000 | -mx,0,0 | 2.03000 | 0.00000 | 0.00000 |
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3 | 0.24580 | 0.00000 | 0.50000 | -mx,0,0 | 2.03000 | 0.00000 | 0.00000 |
4 | 0.75420 | 0.00000 | 0.50000 | mx,0,0 | -2.03000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.25000 | mx,my,mz | 2.03000 | 0.00000 | 0.00000 |
2 | 0.25000 | 0.75000 | 0.75000 | mx,-my,-mz | 2.03000 | 0.00000 | 0.00000 |
3 | 0.75000 | 0.25000 | 0.75000 | -mx,my,-mz | -2.03000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.75000 | 0.25000 | -mx,-my,mz | -2.03000 | 0.00000 | 0.00000 |
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5 | 0.75000 | 0.75000 | 0.75000 | -mx,-my,-mz | -2.03000 | 0.00000 | 0.00000 |
6 | 0.75000 | 0.25000 | 0.25000 | -mx,my,mz | -2.03000 | 0.00000 | 0.00000 |
7 | 0.25000 | 0.75000 | 0.25000 | mx,-my,mz | 2.03000 | 0.00000 | 0.00000 |
8 | 0.25000 | 0.25000 | 0.75000 | mx,my,-mz | 2.03000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75350 | 0.83450 | 0.00000 | mx,my,0 | -2.03000 | 0.00000 | 0.00000 |
2 | 0.75350 | 0.16550 | 0.00000 | mx,-my,0 | -2.03000 | 0.00000 | 0.00000 |
3 | 0.24650 | 0.83450 | 0.00000 | -mx,my,0 | 2.03000 | 0.00000 | 0.00000 |
4 | 0.24650 | 0.16550 | 0.00000 | -mx,-my,0 | 2.03000 | 0.00000 | 0.00000 |
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5 | 0.25350 | 0.33450 | 0.50000 | -mx,-my,0 | 2.03000 | 0.00000 | 0.00000 |
6 | 0.25350 | 0.66550 | 0.50000 | -mx,my,0 | 2.03000 | 0.00000 | 0.00000 |
7 | 0.74650 | 0.33450 | 0.50000 | mx,-my,0 | -2.03000 | 0.00000 | 0.00000 |
8 | 0.74650 | 0.66550 | 0.50000 | mx,my,0 | -2.03000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.24830 | 0.08370 | 0.24470 | mx,my,mz | 2.03000 | 0.00000 | 0.00000 |
2 | 0.24830 | 0.91630 | 0.75530 | mx,-my,-mz | 2.03000 | 0.00000 | 0.00000 |
3 | 0.75170 | 0.08370 | 0.75530 | -mx,my,-mz | -2.03000 | 0.00000 | 0.00000 |
4 | 0.75170 | 0.91630 | 0.24470 | -mx,-my,mz | -2.03000 | 0.00000 | 0.00000 |
5 | 0.25170 | 0.41630 | 0.25530 | mx,my,mz | 2.03000 | 0.00000 | 0.00000 |
6 | 0.25170 | 0.58370 | 0.74470 | mx,-my,-mz | 2.03000 | 0.00000 | 0.00000 |
7 | 0.74830 | 0.41630 | 0.74470 | -mx,my,-mz | -2.03000 | 0.00000 | 0.00000 |
8 | 0.74830 | 0.58370 | 0.25530 | -mx,-my,mz | -2.03000 | 0.00000 | 0.00000 |
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9 | 0.74830 | 0.58370 | 0.74470 | -mx,-my,-mz | -2.03000 | 0.00000 | 0.00000 |
10 | 0.74830 | 0.41630 | 0.25530 | -mx,my,mz | -2.03000 | 0.00000 | 0.00000 |
11 | 0.25170 | 0.58370 | 0.25530 | mx,-my,mz | 2.03000 | 0.00000 | 0.00000 |
12 | 0.25170 | 0.41630 | 0.74470 | mx,my,-mz | 2.03000 | 0.00000 | 0.00000 |
13 | 0.75170 | 0.91630 | 0.75530 | -mx,-my,-mz | -2.03000 | 0.00000 | 0.00000 |
14 | 0.75170 | 0.08370 | 0.24470 | -mx,my,mz | -2.03000 | 0.00000 | 0.00000 |
15 | 0.24830 | 0.91630 | 0.24470 | mx,-my,mz | 2.03000 | 0.00000 | 0.00000 |
16 | 0.24830 | 0.08370 | 0.75530 | mx,my,-mz | 2.03000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Y1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
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2 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Y2:
Atom | x | y | z |
1 | 0.00000 | 0.16740 | 0.50000 |
2 | 0.00000 | 0.83260 | 0.50000 |
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3 | 0.50000 | 0.66740 | 0.00000 |
4 | 0.50000 | 0.33260 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Sn1:
Atom | x | y | z |
1 | 0.31500 | 0.00000 | 0.00000 |
2 | 0.68500 | 0.00000 | 0.00000 |
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3 | 0.81500 | 0.50000 | 0.50000 |
4 | 0.18500 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Sn2:
Atom | x | y | z |
1 | 0.00000 | 0.55540 | 0.00000 |
2 | 0.00000 | 0.44460 | 0.00000 |
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3 | 0.50000 | 0.05540 | 0.50000 |
4 | 0.50000 | 0.94460 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Sn3:
Atom | x | y | z |
1 | 0.00000 | 0.11280 | 0.00000 |
2 | 0.00000 | 0.88720 | 0.00000 |
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3 | 0.50000 | 0.61280 | 0.50000 |
4 | 0.50000 | 0.38720 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Sn4:
Atom | x | y | z |
1 | 0.00000 | 0.22450 | 0.00000 |
2 | 0.00000 | 0.77550 | 0.00000 |
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3 | 0.50000 | 0.72450 | 0.50000 |
4 | 0.50000 | 0.27550 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Sn5:
Atom | x | y | z |
1 | 0.00000 | 0.05640 | 0.50000 |
2 | 0.00000 | 0.94360 | 0.50000 |
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3 | 0.50000 | 0.55640 | 0.00000 |
4 | 0.50000 | 0.44360 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Sn6:
Atom | x | y | z |
1 | 0.00000 | 0.61000 | 0.50000 |
2 | 0.00000 | 0.39000 | 0.50000 |
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3 | 0.50000 | 0.11000 | 0.00000 |
4 | 0.50000 | 0.89000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Sn7:
Atom | x | y | z |
1 | 0.00000 | 0.72210 | 0.50000 |
2 | 0.00000 | 0.27790 | 0.50000 |
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3 | 0.50000 | 0.22210 | 0.00000 |
4 | 0.50000 | 0.77790 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Sn8:
Atom | x | y | z |
1 | 0.83990 | 0.66810 | 0.00000 |
2 | 0.83990 | 0.33190 | 0.00000 |
3 | 0.16010 | 0.66810 | 0.00000 |
4 | 0.16010 | 0.33190 | 0.00000 |
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5 | 0.33990 | 0.16810 | 0.50000 |
6 | 0.33990 | 0.83190 | 0.50000 |
7 | 0.66010 | 0.16810 | 0.50000 |
8 | 0.66010 | 0.83190 | 0.50000 |
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