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 V1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.43239 | 0.30578 | 0.12500 | mx,my,mz | 0.22000 | 0.90000 | -0.25000 |
2 | 0.93239 | 0.44422 | 0.12500 | mx,-my,-mz | 0.22000 | -0.90000 | 0.25000 |
3 | 0.56761 | 0.69422 | 0.87500 | mx,my,mz | 0.22000 | 0.90000 | -0.25000 |
4 | 0.06761 | 0.05578 | 0.37500 | mx,-my,-mz | 0.22000 | -0.90000 | 0.25000 |
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5 | 0.43239 | 0.80578 | 0.62500 | mx,my,mz | 0.22000 | 0.90000 | -0.25000 |
6 | 0.93239 | 0.94422 | 0.62500 | mx,-my,-mz | 0.22000 | -0.90000 | 0.25000 |
7 | 0.56761 | 0.19422 | 0.37500 | mx,my,mz | 0.22000 | 0.90000 | -0.25000 |
8 | 0.06761 | 0.55578 | 0.87500 | mx,-my,-mz | 0.22000 | -0.90000 | 0.25000 |
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9 | 0.43239 | 0.30578 | 0.62500 | -mx,-my,-mz | -0.22000 | -0.90000 | 0.25000 |
10 | 0.93239 | 0.44422 | 0.62500 | -mx,my,mz | -0.22000 | 0.90000 | -0.25000 |
11 | 0.56761 | 0.69422 | 0.37500 | -mx,-my,-mz | -0.22000 | -0.90000 | 0.25000 |
12 | 0.06761 | 0.05578 | 0.87500 | -mx,my,mz | -0.22000 | 0.90000 | -0.25000 |
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13 | 0.43239 | 0.80578 | 0.12500 | -mx,-my,-mz | -0.22000 | -0.90000 | 0.25000 |
14 | 0.93239 | 0.94422 | 0.12500 | -mx,my,mz | -0.22000 | 0.90000 | -0.25000 |
15 | 0.56761 | 0.19422 | 0.87500 | -mx,-my,-mz | -0.22000 | -0.90000 | 0.25000 |
16 | 0.06761 | 0.55578 | 0.37500 | -mx,my,mz | -0.22000 | 0.90000 | -0.25000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom V2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.41978 | 0.05235 | 0.12500 | mx,my,mz | -0.26000 | 0.97000 | 0.18000 |
2 | 0.91978 | 0.69766 | 0.12500 | mx,-my,-mz | -0.26000 | -0.97000 | -0.18000 |
3 | 0.58022 | 0.94766 | 0.87500 | mx,my,mz | -0.26000 | 0.97000 | 0.18000 |
4 | 0.08022 | 0.80234 | 0.37500 | mx,-my,-mz | -0.26000 | -0.97000 | -0.18000 |
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5 | 0.41978 | 0.55234 | 0.62500 | mx,my,mz | -0.26000 | 0.97000 | 0.18000 |
6 | 0.91978 | 0.19766 | 0.62500 | mx,-my,-mz | -0.26000 | -0.97000 | -0.18000 |
7 | 0.58022 | 0.44766 | 0.37500 | mx,my,mz | -0.26000 | 0.97000 | 0.18000 |
8 | 0.08022 | 0.30234 | 0.87500 | mx,-my,-mz | -0.26000 | -0.97000 | -0.18000 |
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9 | 0.41978 | 0.05235 | 0.62500 | -mx,-my,-mz | 0.26000 | -0.97000 | -0.18000 |
10 | 0.91978 | 0.69766 | 0.62500 | -mx,my,mz | 0.26000 | 0.97000 | 0.18000 |
11 | 0.58022 | 0.94766 | 0.37500 | -mx,-my,-mz | 0.26000 | -0.97000 | -0.18000 |
12 | 0.08022 | 0.80234 | 0.87500 | -mx,my,mz | 0.26000 | 0.97000 | 0.18000 |
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13 | 0.41978 | 0.55234 | 0.12500 | -mx,-my,-mz | 0.26000 | -0.97000 | -0.18000 |
14 | 0.91978 | 0.19766 | 0.12500 | -mx,my,mz | 0.26000 | 0.97000 | 0.18000 |
15 | 0.58022 | 0.44766 | 0.87500 | -mx,-my,-mz | 0.26000 | -0.97000 | -0.18000 |
16 | 0.08022 | 0.30234 | 0.37500 | -mx,my,mz | 0.26000 | 0.97000 | 0.18000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.75573 | 0.32742 | 0.12500 |
2 | 0.25573 | 0.42258 | 0.12500 |
3 | 0.24427 | 0.67258 | 0.87500 |
4 | 0.74427 | 0.07742 | 0.37500 |
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5 | 0.75573 | 0.82742 | 0.62500 |
6 | 0.25573 | 0.92258 | 0.62500 |
7 | 0.24427 | 0.17258 | 0.37500 |
8 | 0.74427 | 0.57742 | 0.87500 |
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9 | 0.75573 | 0.32742 | 0.62500 |
10 | 0.25573 | 0.42258 | 0.62500 |
11 | 0.24427 | 0.67258 | 0.37500 |
12 | 0.74427 | 0.07742 | 0.87500 |
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13 | 0.75573 | 0.82742 | 0.12500 |
14 | 0.25573 | 0.92258 | 0.12500 |
15 | 0.24427 | 0.17258 | 0.87500 |
16 | 0.74427 | 0.57742 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.20929 | 0.08211 | 0.12500 |
2 | 0.70929 | 0.66789 | 0.12500 |
3 | 0.79071 | 0.91789 | 0.87500 |
4 | 0.29071 | 0.83211 | 0.37500 |
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5 | 0.20929 | 0.58211 | 0.62500 |
6 | 0.70929 | 0.16789 | 0.62500 |
7 | 0.79071 | 0.41789 | 0.37500 |
8 | 0.29071 | 0.33211 | 0.87500 |
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9 | 0.20929 | 0.08211 | 0.62500 |
10 | 0.70929 | 0.66789 | 0.62500 |
11 | 0.79071 | 0.91789 | 0.37500 |
12 | 0.29071 | 0.83211 | 0.87500 |
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13 | 0.20929 | 0.58211 | 0.12500 |
14 | 0.70929 | 0.16789 | 0.12500 |
15 | 0.79071 | 0.41789 | 0.87500 |
16 | 0.29071 | 0.33211 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.11971 | 0.23783 | 0.12500 |
2 | 0.61971 | 0.51218 | 0.12500 |
3 | 0.88029 | 0.76218 | 0.87500 |
4 | 0.38029 | 0.98782 | 0.37500 |
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5 | 0.11971 | 0.73782 | 0.62500 |
6 | 0.61971 | 0.01218 | 0.62500 |
7 | 0.88029 | 0.26218 | 0.37500 |
8 | 0.38029 | 0.48782 | 0.87500 |
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9 | 0.11971 | 0.23783 | 0.62500 |
10 | 0.61971 | 0.51218 | 0.62500 |
11 | 0.88029 | 0.76218 | 0.37500 |
12 | 0.38029 | 0.98782 | 0.87500 |
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13 | 0.11971 | 0.73782 | 0.12500 |
14 | 0.61971 | 0.01218 | 0.12500 |
15 | 0.88029 | 0.26218 | 0.87500 |
16 | 0.38029 | 0.48782 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.52062 | 0.39062 | 0.12500 |
2 | 0.02062 | 0.35938 | 0.12500 |
3 | 0.47938 | 0.60938 | 0.87500 |
4 | 0.97938 | 0.14062 | 0.37500 |
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5 | 0.52062 | 0.89062 | 0.62500 |
6 | 0.02062 | 0.85938 | 0.62500 |
7 | 0.47938 | 0.10938 | 0.37500 |
8 | 0.97938 | 0.64062 | 0.87500 |
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9 | 0.52062 | 0.39062 | 0.62500 |
10 | 0.02062 | 0.35938 | 0.62500 |
11 | 0.47938 | 0.60938 | 0.37500 |
12 | 0.97938 | 0.14062 | 0.87500 |
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13 | 0.52062 | 0.89062 | 0.12500 |
14 | 0.02062 | 0.85938 | 0.12500 |
15 | 0.47938 | 0.10938 | 0.87500 |
16 | 0.97938 | 0.64062 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.41834 | 0.21376 | 0.12500 |
2 | 0.91834 | 0.53624 | 0.12500 |
3 | 0.58166 | 0.78624 | 0.87500 |
4 | 0.08166 | 0.96376 | 0.37500 |
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5 | 0.41834 | 0.71376 | 0.62500 |
6 | 0.91834 | 0.03625 | 0.62500 |
7 | 0.58166 | 0.28625 | 0.37500 |
8 | 0.08166 | 0.46375 | 0.87500 |
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9 | 0.41834 | 0.21376 | 0.62500 |
10 | 0.91834 | 0.53624 | 0.62500 |
11 | 0.58166 | 0.78624 | 0.37500 |
12 | 0.08166 | 0.96376 | 0.87500 |
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13 | 0.41834 | 0.71376 | 0.12500 |
14 | 0.91834 | 0.03625 | 0.12500 |
15 | 0.58166 | 0.28625 | 0.87500 |
16 | 0.08166 | 0.46375 | 0.37500 |
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