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 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | 3.80000 |
2 | 0.25000 | 0.83333 | 0.50000 | -mx,-my,mz | 0.00000 | 0.00000 | 3.80000 |
3 | 0.25000 | 0.50000 | 0.00000 | -mx,my,-mz | 0.00000 | 0.00000 | -3.80000 |
4 | 0.00000 | 0.33333 | 0.50000 | mx,-my,-mz | 0.00000 | 0.00000 | -3.80000 |
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5 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | 0.00000 | 0.00000 | -3.80000 |
6 | 0.75000 | 0.83333 | 0.50000 | mx,my,-mz | 0.00000 | 0.00000 | -3.80000 |
7 | 0.75000 | 0.50000 | 0.00000 | mx,-my,mz | 0.00000 | 0.00000 | 3.80000 |
8 | 0.50000 | 0.33333 | 0.50000 | -mx,my,mz | 0.00000 | 0.00000 | 3.80000 |
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 | 0.00000 | 0.00000 | 0.50000 | mx,my,mz | 0.00000 | 0.00000 | 0.00000 |
2 | 0.25000 | 0.83333 | 0.00000 | -mx,-my,mz | 0.00000 | 0.00000 | 0.00000 |
3 | 0.25000 | 0.50000 | 0.50000 | -mx,my,-mz | 0.00000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.33333 | 0.00000 | mx,-my,-mz | 0.00000 | 0.00000 | 0.00000 |
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5 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,-mz | 0.00000 | 0.00000 | 0.00000 |
6 | 0.75000 | 0.83333 | 0.00000 | mx,my,-mz | 0.00000 | 0.00000 | 0.00000 |
7 | 0.75000 | 0.50000 | 0.50000 | mx,-my,mz | 0.00000 | 0.00000 | 0.00000 |
8 | 0.50000 | 0.33333 | 0.00000 | -mx,my,mz | 0.00000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.66667 | 0.75000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.25000 | 0.16666 | 0.25000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
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3 | 0.50000 | 0.66667 | 0.75000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.16666 | 0.25000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.66667 | 0.25000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.25000 | 0.16666 | 0.75000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
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3 | 0.50000 | 0.66667 | 0.25000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.16666 | 0.75000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Nb1_1:
Atom | x | y | z |
1 | 0.00000 | 0.66667 | 0.75000 |
2 | 0.25000 | 0.16666 | 0.25000 |
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3 | 0.50000 | 0.66667 | 0.75000 |
4 | 0.75000 | 0.16666 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Nb1_2:
Atom | x | y | z |
1 | 0.00000 | 0.66667 | 0.25000 |
2 | 0.25000 | 0.16666 | 0.75000 |
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3 | 0.50000 | 0.66667 | 0.25000 |
4 | 0.75000 | 0.16666 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Nb2_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.74860 |
2 | 0.25000 | 0.83333 | 0.24860 |
3 | 0.25000 | 0.50000 | 0.25140 |
4 | 0.00000 | 0.33333 | 0.75140 |
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5 | 0.50000 | 0.00000 | 0.74860 |
6 | 0.75000 | 0.83333 | 0.24860 |
7 | 0.75000 | 0.50000 | 0.25140 |
8 | 0.50000 | 0.33333 | 0.75140 |
Set of atoms in the unit cell related by symmetry with the atom Nb2_2:
Atom | x | y | z |
1 | 0.25000 | 0.83333 | 0.75140 |
2 | 0.00000 | 0.00000 | 0.25140 |
3 | 0.00000 | 0.33333 | 0.24860 |
4 | 0.25000 | 0.50000 | 0.74860 |
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5 | 0.75000 | 0.83333 | 0.75140 |
6 | 0.50000 | 0.00000 | 0.25140 |
7 | 0.50000 | 0.33333 | 0.24860 |
8 | 0.75000 | 0.50000 | 0.74860 |
Set of atoms in the unit cell related by symmetry with the atom S1_1:
Atom | x | y | z |
1 | 0.33542 | 0.66693 | 0.87920 |
2 | 0.91458 | 0.16640 | 0.37920 |
3 | 0.91458 | 0.16693 | 0.12080 |
4 | 0.33542 | 0.66640 | 0.62080 |
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5 | 0.83542 | 0.66693 | 0.87920 |
6 | 0.41458 | 0.16640 | 0.37920 |
7 | 0.41458 | 0.16693 | 0.12080 |
8 | 0.83542 | 0.66640 | 0.62080 |
Set of atoms in the unit cell related by symmetry with the atom S1_2:
Atom | x | y | z |
1 | 0.83210 | 0.00197 | 0.87920 |
2 | 0.41790 | 0.83136 | 0.37920 |
3 | 0.41790 | 0.50197 | 0.12080 |
4 | 0.83210 | 0.33136 | 0.62080 |
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5 | 0.33210 | 0.00197 | 0.87920 |
6 | 0.91790 | 0.83136 | 0.37920 |
7 | 0.91790 | 0.50197 | 0.12080 |
8 | 0.33210 | 0.33136 | 0.62080 |
Set of atoms in the unit cell related by symmetry with the atom S1_3:
Atom | x | y | z |
1 | 0.83248 | 0.33111 | 0.87920 |
2 | 0.41752 | 0.50222 | 0.37920 |
3 | 0.41752 | 0.83111 | 0.12080 |
4 | 0.83248 | 0.00222 | 0.62080 |
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5 | 0.33248 | 0.33111 | 0.87920 |
6 | 0.91752 | 0.50222 | 0.37920 |
7 | 0.91752 | 0.83111 | 0.12080 |
8 | 0.33248 | 0.00222 | 0.62080 |
Set of atoms in the unit cell related by symmetry with the atom S1_4:
Atom | x | y | z |
1 | 0.66458 | 0.66641 | 0.37920 |
2 | 0.58542 | 0.16692 | 0.87920 |
3 | 0.58542 | 0.16641 | 0.62080 |
4 | 0.66458 | 0.66692 | 0.12080 |
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5 | 0.16458 | 0.66641 | 0.37920 |
6 | 0.08542 | 0.16692 | 0.87920 |
7 | 0.08542 | 0.16641 | 0.62080 |
8 | 0.16458 | 0.66692 | 0.12080 |
Set of atoms in the unit cell related by symmetry with the atom S1_5:
Atom | x | y | z |
1 | 0.16790 | 0.33137 | 0.37920 |
2 | 0.08210 | 0.50196 | 0.87920 |
3 | 0.08210 | 0.83137 | 0.62080 |
4 | 0.16790 | 0.00196 | 0.12080 |
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5 | 0.66790 | 0.33137 | 0.37920 |
6 | 0.58210 | 0.50196 | 0.87920 |
7 | 0.58210 | 0.83137 | 0.62080 |
8 | 0.66790 | 0.00196 | 0.12080 |
Set of atoms in the unit cell related by symmetry with the atom S1_6:
Atom | x | y | z |
1 | 0.16752 | 0.00223 | 0.37920 |
2 | 0.08248 | 0.83110 | 0.87920 |
3 | 0.08248 | 0.50223 | 0.62080 |
4 | 0.16752 | 0.33110 | 0.12080 |
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5 | 0.66752 | 0.00223 | 0.37920 |
6 | 0.58248 | 0.83110 | 0.87920 |
7 | 0.58248 | 0.50223 | 0.62080 |
8 | 0.66752 | 0.33110 | 0.12080 |
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