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 Mn1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.50000 | -mx,my,-mz | -2.80000 | 0.00000 | 0.00000 |
3 | 0.16667 | 0.00000 | 0.50000 | mx,my,-mz | 2.80000 | 0.00000 | 0.00000 |
4 | 0.16667 | 0.50000 | 0.00000 | -mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.00000 | 0.00000 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
2 | 0.33333 | 0.50000 | 0.50000 | -mx,my,-mz | 2.80000 | 0.00000 | 0.00000 |
3 | 0.83334 | 0.00000 | 0.50000 | mx,my,-mz | -2.80000 | 0.00000 | 0.00000 |
4 | 0.83334 | 0.50000 | 0.00000 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.00000 | 0.50000 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.00000 | -mx,my,-mz | 2.80000 | 0.00000 | 0.00000 |
3 | 0.66667 | 0.00000 | 0.00000 | mx,my,-mz | -2.80000 | 0.00000 | 0.00000 |
4 | 0.66667 | 0.50000 | 0.50000 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.13119 | 0.39357 | 0.39357 |
2 | 0.13119 | 0.10643 | 0.89357 |
3 | 0.03548 | 0.60643 | 0.89357 |
4 | 0.03548 | 0.89357 | 0.39357 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.86881 | 0.89358 | 0.10642 |
2 | 0.86881 | 0.60642 | 0.60642 |
3 | 0.29786 | 0.10642 | 0.60642 |
4 | 0.29786 | 0.39358 | 0.10642 |
Set of atoms in the unit cell related by symmetry with the atom Se1_3:
Atom | x | y | z |
1 | 0.46453 | 0.39358 | 0.39358 |
2 | 0.46453 | 0.10642 | 0.89358 |
3 | 0.70214 | 0.60642 | 0.89358 |
4 | 0.70214 | 0.89358 | 0.39358 |
Set of atoms in the unit cell related by symmetry with the atom Se1_4:
Atom | x | y | z |
1 | 0.36881 | 0.60642 | 0.89358 |
2 | 0.36881 | 0.89358 | 0.39358 |
3 | 0.79786 | 0.39358 | 0.39358 |
4 | 0.79786 | 0.10642 | 0.89358 |
Set of atoms in the unit cell related by symmetry with the atom Se1_5:
Atom | x | y | z |
1 | 0.20214 | 0.89358 | 0.10642 |
2 | 0.20214 | 0.60642 | 0.60642 |
3 | 0.96453 | 0.10642 | 0.60642 |
4 | 0.96453 | 0.39358 | 0.10642 |
Set of atoms in the unit cell related by symmetry with the atom Se1_6:
Atom | x | y | z |
1 | 0.63119 | 0.10642 | 0.60642 |
2 | 0.63119 | 0.39358 | 0.10642 |
3 | 0.53548 | 0.89358 | 0.10642 |
4 | 0.53548 | 0.60642 | 0.60642 |
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