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 Cu1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | -0.15000 | 0.49000 | 0.00000 |
2 | 0.25000 | 0.50000 | 0.25000 | -mx,my,-mz | 0.15000 | 0.49000 | 0.00000 |
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3 | 0.50000 | 0.00000 | 0.50000 | mx,my,mz | -0.15000 | 0.49000 | 0.00000 |
4 | 0.75000 | 0.50000 | 0.75000 | -mx,my,-mz | 0.15000 | 0.49000 | 0.00000 |
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5 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | 0.15000 | -0.49000 | 0.00000 |
6 | 0.75000 | 0.50000 | 0.25000 | mx,-my,mz | -0.15000 | -0.49000 | 0.00000 |
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7 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,-mz | 0.15000 | -0.49000 | 0.00000 |
8 | 0.25000 | 0.50000 | 0.75000 | mx,-my,mz | -0.15000 | -0.49000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Sb1:
Atom | x | y | z |
1 | 0.00055 | 0.00800 | 0.16690 |
2 | 0.24945 | 0.50800 | 0.08310 |
3 | 0.99945 | 0.99200 | 0.83310 |
4 | 0.25055 | 0.49200 | 0.41690 |
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5 | 0.50055 | 0.00800 | 0.66690 |
6 | 0.74945 | 0.50800 | 0.58310 |
7 | 0.49945 | 0.99200 | 0.33310 |
8 | 0.75055 | 0.49200 | 0.91690 |
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9 | 0.50055 | 0.00800 | 0.16690 |
10 | 0.74945 | 0.50800 | 0.08310 |
11 | 0.49945 | 0.99200 | 0.83310 |
12 | 0.75055 | 0.49200 | 0.41690 |
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13 | 0.00055 | 0.00800 | 0.66690 |
14 | 0.24945 | 0.50800 | 0.58310 |
15 | 0.99945 | 0.99200 | 0.33310 |
16 | 0.25055 | 0.49200 | 0.91690 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.15650 | 0.29830 | 0.00085 |
2 | 0.09350 | 0.79830 | 0.24915 |
3 | 0.84350 | 0.70170 | 0.99915 |
4 | 0.40650 | 0.20170 | 0.25085 |
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5 | 0.65650 | 0.29830 | 0.50085 |
6 | 0.59350 | 0.79830 | 0.74915 |
7 | 0.34350 | 0.70170 | 0.49915 |
8 | 0.90650 | 0.20170 | 0.75085 |
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9 | 0.65650 | 0.29830 | 0.00085 |
10 | 0.59350 | 0.79830 | 0.24915 |
11 | 0.34350 | 0.70170 | 0.99915 |
12 | 0.90650 | 0.20170 | 0.25085 |
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13 | 0.15650 | 0.29830 | 0.50085 |
14 | 0.09350 | 0.79830 | 0.74915 |
15 | 0.84350 | 0.70170 | 0.49915 |
16 | 0.40650 | 0.20170 | 0.75085 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.14955 | 0.31760 | 0.16455 |
2 | 0.10045 | 0.81760 | 0.08545 |
3 | 0.85045 | 0.68240 | 0.83545 |
4 | 0.39955 | 0.18240 | 0.41455 |
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5 | 0.64955 | 0.31760 | 0.66455 |
6 | 0.60045 | 0.81760 | 0.58545 |
7 | 0.35045 | 0.68240 | 0.33545 |
8 | 0.89955 | 0.18240 | 0.91455 |
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9 | 0.64955 | 0.31760 | 0.16455 |
10 | 0.60045 | 0.81760 | 0.08545 |
11 | 0.35045 | 0.68240 | 0.83545 |
12 | 0.89955 | 0.18240 | 0.41455 |
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13 | 0.14955 | 0.31760 | 0.66455 |
14 | 0.10045 | 0.81760 | 0.58545 |
15 | 0.85045 | 0.68240 | 0.33545 |
16 | 0.39955 | 0.18240 | 0.91455 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.34940 | 0.70850 | 0.16240 |
2 | 0.90060 | 0.20850 | 0.08760 |
3 | 0.65060 | 0.29150 | 0.83760 |
4 | 0.59940 | 0.79150 | 0.41240 |
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5 | 0.84940 | 0.70850 | 0.66240 |
6 | 0.40060 | 0.20850 | 0.58760 |
7 | 0.15060 | 0.29150 | 0.33760 |
8 | 0.09940 | 0.79150 | 0.91240 |
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9 | 0.84940 | 0.70850 | 0.16240 |
10 | 0.40060 | 0.20850 | 0.08760 |
11 | 0.15060 | 0.29150 | 0.83760 |
12 | 0.09940 | 0.79150 | 0.41240 |
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13 | 0.34940 | 0.70850 | 0.66240 |
14 | 0.90060 | 0.20850 | 0.58760 |
15 | 0.65060 | 0.29150 | 0.33760 |
16 | 0.59940 | 0.79150 | 0.91240 |
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