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 | 0.09250 | 0.19644 | 0.24573 | mx,my,mz | 1.42000 | -2.67800 | 0.00000 |
2 | 0.80356 | 0.09250 | 0.24573 | -my,mx,mz | 2.67800 | 1.42000 | 0.00000 |
3 | 0.19644 | 0.90750 | 0.24573 | my,-mx,mz | -2.67800 | -1.42000 | 0.00000 |
4 | 0.90750 | 0.80356 | 0.24573 | -mx,-my,mz | -1.42000 | 2.67800 | 0.00000 |
5 | 0.90750 | 0.80356 | 0.75427 | mx,my,mz | 1.42000 | -2.67800 | 0.00000 |
6 | 0.19644 | 0.90750 | 0.75427 | -my,mx,mz | 2.67800 | 1.42000 | 0.00000 |
7 | 0.80356 | 0.09250 | 0.75427 | my,-mx,mz | -2.67800 | -1.42000 | 0.00000 |
8 | 0.09250 | 0.19644 | 0.75427 | -mx,-my,mz | -1.42000 | 2.67800 | 0.00000 |
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9 | 0.59250 | 0.69644 | 0.74573 | mx,my,mz | 1.42000 | -2.67800 | 0.00000 |
10 | 0.30356 | 0.59250 | 0.74573 | -my,mx,mz | 2.67800 | 1.42000 | 0.00000 |
11 | 0.69644 | 0.40750 | 0.74573 | my,-mx,mz | -2.67800 | -1.42000 | 0.00000 |
12 | 0.40750 | 0.30356 | 0.74573 | -mx,-my,mz | -1.42000 | 2.67800 | 0.00000 |
13 | 0.40750 | 0.30356 | 0.25427 | mx,my,mz | 1.42000 | -2.67800 | 0.00000 |
14 | 0.69644 | 0.40750 | 0.25427 | -my,mx,mz | 2.67800 | 1.42000 | 0.00000 |
15 | 0.30356 | 0.59250 | 0.25427 | my,-mx,mz | -2.67800 | -1.42000 | 0.00000 |
16 | 0.59250 | 0.69644 | 0.25427 | -mx,-my,mz | -1.42000 | 2.67800 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Tl1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
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2 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Tl2:
Atom | x | y | z |
1 | 0.19417 | 0.39373 | 0.00000 |
2 | 0.60627 | 0.19417 | 0.00000 |
3 | 0.39373 | 0.80583 | 0.00000 |
4 | 0.80583 | 0.60627 | 0.00000 |
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5 | 0.69417 | 0.89373 | 0.50000 |
6 | 0.10627 | 0.69417 | 0.50000 |
7 | 0.89373 | 0.30583 | 0.50000 |
8 | 0.30583 | 0.10627 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Se1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.36576 |
2 | 0.00000 | 0.00000 | 0.63424 |
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3 | 0.50000 | 0.50000 | 0.86576 |
4 | 0.50000 | 0.50000 | 0.13424 |
Set of atoms in the unit cell related by symmetry with the atom Se2:
Atom | x | y | z |
1 | 0.19826 | 0.39053 | 0.35557 |
2 | 0.60947 | 0.19826 | 0.35557 |
3 | 0.39053 | 0.80174 | 0.35557 |
4 | 0.80174 | 0.60947 | 0.35557 |
5 | 0.80174 | 0.60947 | 0.64443 |
6 | 0.39053 | 0.80174 | 0.64443 |
7 | 0.60947 | 0.19826 | 0.64443 |
8 | 0.19826 | 0.39053 | 0.64443 |
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9 | 0.69826 | 0.89053 | 0.85557 |
10 | 0.10947 | 0.69826 | 0.85557 |
11 | 0.89053 | 0.30174 | 0.85557 |
12 | 0.30174 | 0.10947 | 0.85557 |
13 | 0.30174 | 0.10947 | 0.14443 |
14 | 0.89053 | 0.30174 | 0.14443 |
15 | 0.10947 | 0.69826 | 0.14443 |
16 | 0.69826 | 0.89053 | 0.14443 |
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