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 Co1:
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 | 2.45000 |
2 | 0.00000 | 0.00000 | 0.50000 | -mx,my,-mz | 0.00000 | 0.00000 | -2.45000 |
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3 | 0.50000 | 0.50000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | 2.45000 |
4 | 0.50000 | 0.50000 | 0.50000 | -mx,my,-mz | 0.00000 | 0.00000 | -2.45000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.99400 | 0.33370 | 0.84620 | mx,my,mz | 0.00000 | 0.00000 | 0.57000 |
2 | 0.00600 | 0.33370 | 0.65380 | -mx,my,-mz | 0.00000 | 0.00000 | -0.57000 |
3 | 0.00600 | 0.66630 | 0.15380 | mx,my,mz | 0.00000 | 0.00000 | 0.57000 |
4 | 0.99400 | 0.66630 | 0.34620 | -mx,my,-mz | 0.00000 | 0.00000 | -0.57000 |
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5 | 0.49400 | 0.83370 | 0.84620 | mx,my,mz | 0.00000 | 0.00000 | 0.57000 |
6 | 0.50600 | 0.83370 | 0.65380 | -mx,my,-mz | 0.00000 | 0.00000 | -0.57000 |
7 | 0.50600 | 0.16630 | 0.15380 | mx,my,mz | 0.00000 | 0.00000 | 0.57000 |
8 | 0.49400 | 0.16630 | 0.34620 | -mx,my,-mz | 0.00000 | 0.00000 | -0.57000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00040 | 0.33120 | 0.08770 |
2 | 0.99960 | 0.33120 | 0.41230 |
3 | 0.99960 | 0.66880 | 0.91230 |
4 | 0.00040 | 0.66880 | 0.58770 |
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5 | 0.50040 | 0.83120 | 0.08770 |
6 | 0.49960 | 0.83120 | 0.41230 |
7 | 0.49960 | 0.16880 | 0.91230 |
8 | 0.50040 | 0.16880 | 0.58770 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.00000 | 0.99940 | 0.25000 |
2 | 0.00000 | 0.00060 | 0.75000 |
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3 | 0.50000 | 0.49940 | 0.25000 |
4 | 0.50000 | 0.50060 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.50300 | 0.25000 |
2 | 0.00000 | 0.49700 | 0.75000 |
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3 | 0.50000 | 0.00300 | 0.25000 |
4 | 0.50000 | 0.99700 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.26620 | 0.24140 | 0.23810 |
2 | 0.73380 | 0.24140 | 0.26190 |
3 | 0.73380 | 0.75860 | 0.76190 |
4 | 0.26620 | 0.75860 | 0.73810 |
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5 | 0.76620 | 0.74140 | 0.23810 |
6 | 0.23380 | 0.74140 | 0.26190 |
7 | 0.23380 | 0.25860 | 0.76190 |
8 | 0.76620 | 0.25860 | 0.73810 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.02960 | 0.84010 | 0.08050 |
2 | 0.97040 | 0.84010 | 0.41950 |
3 | 0.97040 | 0.15990 | 0.91950 |
4 | 0.02960 | 0.15990 | 0.58050 |
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5 | 0.52960 | 0.34010 | 0.08050 |
6 | 0.47040 | 0.34010 | 0.41950 |
7 | 0.47040 | 0.65990 | 0.91950 |
8 | 0.52960 | 0.65990 | 0.58050 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.25670 | 0.10030 | 0.08140 |
2 | 0.74330 | 0.10030 | 0.41860 |
3 | 0.74330 | 0.89970 | 0.91860 |
4 | 0.25670 | 0.89970 | 0.58140 |
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5 | 0.75670 | 0.60030 | 0.08140 |
6 | 0.24330 | 0.60030 | 0.41860 |
7 | 0.24330 | 0.39970 | 0.91860 |
8 | 0.75670 | 0.39970 | 0.58140 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.77090 | 0.07440 | 0.07840 |
2 | 0.22910 | 0.07440 | 0.42160 |
3 | 0.22910 | 0.92560 | 0.92160 |
4 | 0.77090 | 0.92560 | 0.57840 |
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5 | 0.27090 | 0.57440 | 0.07840 |
6 | 0.72910 | 0.57440 | 0.42160 |
7 | 0.72910 | 0.42560 | 0.92160 |
8 | 0.27090 | 0.42560 | 0.57840 |
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