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 | 0.50000 | 0.23930 | 0.11590 | 0,my,mz | 0.00000 | 0.00000 | 2.54000 |
2 | 0.50000 | 0.23930 | 0.38410 | 0,my,-mz | 0.00000 | 0.00000 | -2.54000 |
3 | 0.50000 | 0.76070 | 0.88410 | 0,my,mz | 0.00000 | 0.00000 | 2.54000 |
4 | 0.50000 | 0.76070 | 0.61590 | 0,my,-mz | 0.00000 | 0.00000 | -2.54000 |
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5 | 0.00000 | 0.73930 | 0.11590 | 0,my,mz | 0.00000 | 0.00000 | 2.54000 |
6 | 0.00000 | 0.73930 | 0.38410 | 0,my,-mz | 0.00000 | 0.00000 | -2.54000 |
7 | 0.00000 | 0.26070 | 0.88410 | 0,my,mz | 0.00000 | 0.00000 | 2.54000 |
8 | 0.00000 | 0.26070 | 0.61590 | 0,my,-mz | 0.00000 | 0.00000 | -2.54000 |
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 | 0.00000 | 0,my,mz | 0.00000 | 0.00000 | -2.21000 |
2 | 0.00000 | 0.00000 | 0.50000 | 0,my,-mz | 0.00000 | 0.00000 | 2.21000 |
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3 | 0.50000 | 0.50000 | 0.00000 | 0,my,mz | 0.00000 | 0.00000 | -2.21000 |
4 | 0.50000 | 0.50000 | 0.50000 | 0,my,-mz | 0.00000 | 0.00000 | 2.21000 |
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 | 0.00000 | 0.49150 | 0.25000 | 0,my,0 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50850 | 0.75000 | 0,my,0 | 0.00000 | 0.00000 | 0.00000 |
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3 | 0.50000 | 0.99150 | 0.25000 | 0,my,0 | 0.00000 | 0.00000 | 0.00000 |
4 | 0.50000 | 0.00850 | 0.75000 | 0,my,0 | 0.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Co2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
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3 | 0.50000 | 0.50000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Co3:
Atom | x | y | z |
1 | 0.00000 | 0.49150 | 0.25000 |
2 | 0.00000 | 0.50850 | 0.75000 |
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3 | 0.50000 | 0.99150 | 0.25000 |
4 | 0.50000 | 0.00850 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.50000 | 0.33520 | 0.25000 |
2 | 0.50000 | 0.66480 | 0.75000 |
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3 | 0.00000 | 0.83520 | 0.25000 |
4 | 0.00000 | 0.16480 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.36000 | 0.04480 |
2 | 0.00000 | 0.36000 | 0.45520 |
3 | 0.00000 | 0.64000 | 0.95520 |
4 | 0.00000 | 0.64000 | 0.54480 |
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5 | 0.50000 | 0.86000 | 0.04480 |
6 | 0.50000 | 0.86000 | 0.45520 |
7 | 0.50000 | 0.14000 | 0.95520 |
8 | 0.50000 | 0.14000 | 0.54480 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.09230 | 0.14220 |
2 | 0.00000 | 0.09230 | 0.35780 |
3 | 0.00000 | 0.90770 | 0.85780 |
4 | 0.00000 | 0.90770 | 0.64220 |
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5 | 0.50000 | 0.59230 | 0.14220 |
6 | 0.50000 | 0.59230 | 0.35780 |
7 | 0.50000 | 0.40770 | 0.85780 |
8 | 0.50000 | 0.40770 | 0.64220 |
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