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 Mn:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.00000 | 0.50000 | 0.00000 |
2 | 0.50000 | 0.25000 | 0.00000 | mx,-my,-mz | 0.00000 | -0.50000 | 0.00000 |
3 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,mz | 0.00000 | -0.50000 | 0.00000 |
4 | 0.00000 | 0.25000 | 0.50000 | -mx,my,-mz | 0.00000 | 0.50000 | 0.00000 |
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5 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,-mz | 0.00000 | -0.50000 | 0.00000 |
6 | 0.50000 | 0.75000 | 0.00000 | -mx,my,mz | 0.00000 | 0.50000 | 0.00000 |
7 | 0.50000 | 0.50000 | 0.50000 | mx,my,-mz | 0.00000 | 0.50000 | 0.00000 |
8 | 0.00000 | 0.75000 | 0.50000 | mx,-my,mz | 0.00000 | -0.50000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom S1_1:
Atom | x | y | z |
1 | 0.40078 | 0.20039 | 0.40078 |
2 | 0.90078 | 0.04961 | 0.59922 |
3 | 0.90078 | 0.20039 | 0.09922 |
4 | 0.40078 | 0.04961 | 0.90078 |
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5 | 0.40078 | 0.70039 | 0.40078 |
6 | 0.90078 | 0.54961 | 0.59922 |
7 | 0.90078 | 0.70039 | 0.09922 |
8 | 0.40078 | 0.54961 | 0.90078 |
Set of atoms in the unit cell related by symmetry with the atom S1_2:
Atom | x | y | z |
1 | 0.09922 | 0.79800 | 0.90078 |
2 | 0.59922 | 0.45200 | 0.09922 |
3 | 0.59922 | 0.79800 | 0.59922 |
4 | 0.09922 | 0.45200 | 0.40078 |
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5 | 0.09922 | 0.29800 | 0.90078 |
6 | 0.59922 | 0.95200 | 0.09922 |
7 | 0.59922 | 0.29800 | 0.59922 |
8 | 0.09922 | 0.95200 | 0.40078 |
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