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:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.58767 | 0.12500 | mx,my,mz | 0.90000 | 0.40000 | 1.80000 |
2 | 0.00000 | 0.41233 | 0.37500 | mx,my,mz | 0.90000 | 0.40000 | 1.80000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.08767 | 0.12500 | mx,my,mz | 0.90000 | 0.40000 | 1.80000 |
4 | 0.50000 | 0.91233 | 0.37500 | mx,my,mz | 0.90000 | 0.40000 | 1.80000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.58767 | 0.62500 | -mx,-my,-mz | -0.90000 | -0.40000 | -1.80000 |
6 | 0.00000 | 0.41233 | 0.87500 | -mx,-my,-mz | -0.90000 | -0.40000 | -1.80000 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.08767 | 0.62500 | -mx,-my,-mz | -0.90000 | -0.40000 | -1.80000 |
8 | 0.50000 | 0.91233 | 0.87500 | -mx,-my,-mz | -0.90000 | -0.40000 | -1.80000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Na1:
Atom | x | y | z |
1 | 0.00000 | 0.20119 | 0.12500 |
2 | 0.00000 | 0.79881 | 0.37500 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.70119 | 0.12500 |
4 | 0.50000 | 0.29881 | 0.37500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.20119 | 0.62500 |
6 | 0.00000 | 0.79881 | 0.87500 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.70119 | 0.62500 |
8 | 0.50000 | 0.29881 | 0.87500 |
Set of atoms in the unit cell related by symmetry with the atom Ge1_1:
Atom | x | y | z |
1 | 0.29181 | 0.40949 | 0.12143 |
2 | 0.70819 | 0.59051 | 0.37857 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.79181 | 0.90949 | 0.12143 |
4 | 0.20819 | 0.09051 | 0.37857 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.29181 | 0.40949 | 0.62143 |
6 | 0.70819 | 0.59051 | 0.87857 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.79181 | 0.90949 | 0.62143 |
8 | 0.20819 | 0.09051 | 0.87857 |
Set of atoms in the unit cell related by symmetry with the atom Ge1_2:
Atom | x | y | z |
1 | 0.70819 | 0.40949 | 0.12857 |
2 | 0.29181 | 0.59051 | 0.37143 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.20819 | 0.90949 | 0.12857 |
4 | 0.79181 | 0.09051 | 0.37143 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.70819 | 0.40949 | 0.62857 |
6 | 0.29181 | 0.59051 | 0.87143 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.20819 | 0.90949 | 0.62857 |
8 | 0.79181 | 0.09051 | 0.87143 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.60786 | 0.91957 | 0.07612 |
2 | 0.39214 | 0.08043 | 0.42388 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.10786 | 0.41957 | 0.07612 |
4 | 0.89214 | 0.58043 | 0.42388 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.60786 | 0.91957 | 0.57612 |
6 | 0.39214 | 0.08043 | 0.92388 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.10786 | 0.41957 | 0.57612 |
8 | 0.89214 | 0.58043 | 0.92388 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.39214 | 0.91957 | 0.17388 |
2 | 0.60786 | 0.08043 | 0.32612 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.89214 | 0.41957 | 0.17388 |
4 | 0.10786 | 0.58043 | 0.32612 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.39214 | 0.91957 | 0.67388 |
6 | 0.60786 | 0.08043 | 0.82612 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.89214 | 0.41957 | 0.67388 |
8 | 0.10786 | 0.58043 | 0.82612 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.36161 | 0.48786 | 0.00721 |
2 | 0.63839 | 0.51214 | 0.49279 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.86161 | 0.98786 | 0.00721 |
4 | 0.13839 | 0.01214 | 0.49279 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.36161 | 0.48786 | 0.50721 |
6 | 0.63839 | 0.51214 | 0.99279 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.86161 | 0.98786 | 0.50721 |
8 | 0.13839 | 0.01214 | 0.99279 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.63839 | 0.48786 | 0.24279 |
2 | 0.36161 | 0.51214 | 0.25721 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.13839 | 0.98786 | 0.24279 |
4 | 0.86161 | 0.01214 | 0.25721 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.63839 | 0.48786 | 0.74279 |
6 | 0.36161 | 0.51214 | 0.75721 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.13839 | 0.98786 | 0.74279 |
8 | 0.86161 | 0.01214 | 0.75721 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.63625 | 0.22434 | 0.09503 |
2 | 0.36375 | 0.77566 | 0.40497 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.13625 | 0.72434 | 0.09503 |
4 | 0.86375 | 0.27566 | 0.40497 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.63625 | 0.22434 | 0.59503 |
6 | 0.36375 | 0.77566 | 0.90497 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.13625 | 0.72434 | 0.59503 |
8 | 0.86375 | 0.27566 | 0.90497 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.36375 | 0.22434 | 0.15497 |
2 | 0.63625 | 0.77566 | 0.34503 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.86375 | 0.72434 | 0.15497 |
4 | 0.13625 | 0.27566 | 0.34503 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.36375 | 0.22434 | 0.65497 |
6 | 0.63625 | 0.77566 | 0.84503 |
(1/2,1/2,1/2)' + set click here to show and hide |
7 | 0.86375 | 0.72434 | 0.65497 |
8 | 0.13625 | 0.27566 | 0.84503 |
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