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 Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16667 | 0.66667 | 0.00000 | 0,my,mz | 0.00000 | 0.70000 | 1.30000 |
2 | 0.83333 | 0.33333 | 0.50000 | 0,-my,mz | 0.00000 | -0.70000 | 1.30000 |
3 | 0.33333 | 0.33333 | 0.00000 | 0,my,mz | 0.00000 | 0.70000 | 1.30000 |
4 | 0.66667 | 0.66667 | 0.50000 | 0,-my,mz | 0.00000 | -0.70000 | 1.30000 |
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5 | 0.66667 | 0.66667 | 0.00000 | 0,-my,-mz | 0.00000 | -0.70000 | -1.30000 |
6 | 0.33333 | 0.33333 | 0.50000 | 0,my,-mz | 0.00000 | 0.70000 | -1.30000 |
7 | 0.83333 | 0.33333 | 0.00000 | 0,-my,-mz | 0.00000 | -0.70000 | -1.30000 |
8 | 0.16667 | 0.66667 | 0.50000 | 0,my,-mz | 0.00000 | 0.70000 | -1.30000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Te1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
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3 | 0.50000 | 0.00000 | 0.00000 |
4 | 0.50000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.16355 | 0.00000 | 0.59590 |
2 | 0.83645 | 0.00000 | 0.09590 |
3 | 0.66355 | 0.32710 | 0.40410 |
4 | 0.33645 | 0.67290 | 0.90410 |
5 | 0.33645 | 0.00000 | 0.40410 |
6 | 0.66355 | 0.00000 | 0.90410 |
7 | 0.83645 | 0.67290 | 0.59590 |
8 | 0.16355 | 0.32710 | 0.09590 |
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9 | 0.66355 | 0.00000 | 0.59590 |
10 | 0.33645 | 0.00000 | 0.09590 |
11 | 0.16355 | 0.32710 | 0.40410 |
12 | 0.83645 | 0.67290 | 0.90410 |
13 | 0.83645 | 0.00000 | 0.40410 |
14 | 0.16355 | 0.00000 | 0.90410 |
15 | 0.33645 | 0.67290 | 0.59590 |
16 | 0.66355 | 0.32710 | 0.09590 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.32710 | 0.59590 |
2 | 0.00000 | 0.67290 | 0.09590 |
3 | 0.50000 | 0.67290 | 0.40410 |
4 | 0.50000 | 0.32710 | 0.90410 |
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5 | 0.50000 | 0.32710 | 0.59590 |
6 | 0.50000 | 0.67290 | 0.09590 |
7 | 0.00000 | 0.67290 | 0.40410 |
8 | 0.00000 | 0.32710 | 0.90410 |
Set of atoms in the unit cell related by symmetry with the atom Na1_1:
Atom | x | y | z |
1 | 0.17475 | 0.00000 | 0.25000 |
2 | 0.82525 | 0.00000 | 0.75000 |
3 | 0.67475 | 0.34950 | 0.75000 |
4 | 0.32525 | 0.65050 | 0.25000 |
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5 | 0.67475 | 0.00000 | 0.25000 |
6 | 0.32525 | 0.00000 | 0.75000 |
7 | 0.17475 | 0.34950 | 0.75000 |
8 | 0.82525 | 0.65050 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Na1_2:
Atom | x | y | z |
1 | 0.00000 | 0.34950 | 0.25000 |
2 | 0.00000 | 0.65050 | 0.75000 |
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3 | 0.50000 | 0.34950 | 0.25000 |
4 | 0.50000 | 0.65050 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Na2:
Atom | x | y | z |
1 | 0.16667 | 0.66667 | 0.25000 |
2 | 0.83333 | 0.33333 | 0.75000 |
3 | 0.66667 | 0.66667 | 0.75000 |
4 | 0.33333 | 0.33333 | 0.25000 |
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5 | 0.66667 | 0.66667 | 0.25000 |
6 | 0.33333 | 0.33333 | 0.75000 |
7 | 0.16667 | 0.66667 | 0.75000 |
8 | 0.83333 | 0.33333 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Na3:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
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3 | 0.50000 | 0.00000 | 0.25000 |
4 | 0.50000 | 0.00000 | 0.75000 |
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