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 | 0.00000 | 0.50000 | 0.25000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.25000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
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3 | 0.50000 | 0.00000 | 0.75000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.75000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
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 | 0.19790 | 0.09150 | 0.24674 | mx,my,mz | 0.00000 | 0.00000 | 3.31000 |
2 | 0.90850 | 0.19790 | 0.24674 | -my,mx,mz | 0.00000 | 0.00000 | 3.31000 |
3 | 0.09150 | 0.80210 | 0.24674 | my,-mx,mz | 0.00000 | 0.00000 | 3.31000 |
4 | 0.80210 | 0.90850 | 0.24674 | -mx,-my,mz | 0.00000 | 0.00000 | 3.31000 |
5 | 0.80210 | 0.90850 | 0.75326 | -mx,-my,-mz | 0.00000 | 0.00000 | -3.31000 |
6 | 0.09150 | 0.80210 | 0.75326 | my,-mx,-mz | 0.00000 | 0.00000 | -3.31000 |
7 | 0.90850 | 0.19790 | 0.75326 | -my,mx,-mz | 0.00000 | 0.00000 | -3.31000 |
8 | 0.19790 | 0.09150 | 0.75326 | mx,my,-mz | 0.00000 | 0.00000 | -3.31000 |
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9 | 0.69790 | 0.59150 | 0.74674 | mx,my,mz | 0.00000 | 0.00000 | 3.31000 |
10 | 0.40850 | 0.69790 | 0.74674 | -my,mx,mz | 0.00000 | 0.00000 | 3.31000 |
11 | 0.59150 | 0.30210 | 0.74674 | my,-mx,mz | 0.00000 | 0.00000 | 3.31000 |
12 | 0.30210 | 0.40850 | 0.74674 | -mx,-my,mz | 0.00000 | 0.00000 | 3.31000 |
13 | 0.30210 | 0.40850 | 0.25326 | -mx,-my,-mz | 0.00000 | 0.00000 | -3.31000 |
14 | 0.59150 | 0.30210 | 0.25326 | my,-mx,-mz | 0.00000 | 0.00000 | -3.31000 |
15 | 0.40850 | 0.69790 | 0.25326 | -my,mx,-mz | 0.00000 | 0.00000 | -3.31000 |
16 | 0.69790 | 0.59150 | 0.25326 | mx,my,-mz | 0.00000 | 0.00000 | -3.31000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom K1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
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2 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom K2:
Atom | x | y | z |
1 | 0.40400 | 0.17800 | 0.00000 |
2 | 0.82200 | 0.40400 | 0.00000 |
3 | 0.17800 | 0.59600 | 0.00000 |
4 | 0.59600 | 0.82200 | 0.00000 |
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5 | 0.90400 | 0.67800 | 0.50000 |
6 | 0.32200 | 0.90400 | 0.50000 |
7 | 0.67800 | 0.09600 | 0.50000 |
8 | 0.09600 | 0.32200 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Se1:
Atom | x | y | z |
1 | 0.50000 | 0.50000 | 0.13370 |
2 | 0.50000 | 0.50000 | 0.86630 |
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3 | 0.00000 | 0.00000 | 0.63370 |
4 | 0.00000 | 0.00000 | 0.36630 |
Set of atoms in the unit cell related by symmetry with the atom Se2:
Atom | x | y | z |
1 | 0.11470 | 0.30110 | 0.14550 |
2 | 0.69890 | 0.11470 | 0.14550 |
3 | 0.30110 | 0.88530 | 0.14550 |
4 | 0.88530 | 0.69890 | 0.14550 |
5 | 0.88530 | 0.69890 | 0.85450 |
6 | 0.30110 | 0.88530 | 0.85450 |
7 | 0.69890 | 0.11470 | 0.85450 |
8 | 0.11470 | 0.30110 | 0.85450 |
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9 | 0.61470 | 0.80110 | 0.64550 |
10 | 0.19890 | 0.61470 | 0.64550 |
11 | 0.80110 | 0.38530 | 0.64550 |
12 | 0.38530 | 0.19890 | 0.64550 |
13 | 0.38530 | 0.19890 | 0.35450 |
14 | 0.80110 | 0.38530 | 0.35450 |
15 | 0.19890 | 0.61470 | 0.35450 |
16 | 0.61470 | 0.80110 | 0.35450 |
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