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 | 0.26548 | 0.32102 | 0.14358 | mx,my,mz | -1.70000 | -0.58000 | -0.90000 |
2 | 0.23452 | 0.82102 | 0.35642 | -mx,my,-mz | 1.70000 | -0.58000 | 0.90000 |
3 | 0.73452 | 0.67898 | 0.85642 | mx,my,mz | -1.70000 | -0.58000 | -0.90000 |
4 | 0.76548 | 0.17898 | 0.64358 | -mx,my,-mz | 1.70000 | -0.58000 | 0.90000 |
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5 | 0.76548 | 0.82102 | 0.14358 | -mx,-my,-mz | 1.70000 | 0.58000 | 0.90000 |
6 | 0.73452 | 0.32102 | 0.35642 | mx,-my,mz | -1.70000 | 0.58000 | -0.90000 |
7 | 0.23452 | 0.17898 | 0.85642 | -mx,-my,-mz | 1.70000 | 0.58000 | 0.90000 |
8 | 0.26548 | 0.67898 | 0.64358 | mx,-my,mz | -1.70000 | 0.58000 | -0.90000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Te1:
Atom | x | y | z |
1 | 0.00000 | 0.17815 | 0.25000 |
2 | 0.00000 | 0.82185 | 0.75000 |
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3 | 0.50000 | 0.67815 | 0.25000 |
4 | 0.50000 | 0.32185 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Te2:
Atom | x | y | z |
1 | 0.36536 | 0.31710 | 0.44290 |
2 | 0.13464 | 0.81710 | 0.05710 |
3 | 0.63464 | 0.68290 | 0.55710 |
4 | 0.86536 | 0.18290 | 0.94290 |
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5 | 0.86536 | 0.81710 | 0.44290 |
6 | 0.63464 | 0.31710 | 0.05710 |
7 | 0.13464 | 0.18290 | 0.55710 |
8 | 0.36536 | 0.68290 | 0.94290 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.41938 | 0.44782 | 0.14580 |
2 | 0.08062 | 0.94782 | 0.35420 |
3 | 0.58062 | 0.55218 | 0.85420 |
4 | 0.91938 | 0.05218 | 0.64580 |
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5 | 0.91938 | 0.94782 | 0.14580 |
6 | 0.58062 | 0.44782 | 0.35420 |
7 | 0.08062 | 0.05218 | 0.85420 |
8 | 0.41938 | 0.55218 | 0.64580 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.38831 | 0.64814 | 0.36785 |
2 | 0.11169 | 0.14814 | 0.13215 |
3 | 0.61169 | 0.35186 | 0.63215 |
4 | 0.88831 | 0.85186 | 0.86785 |
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5 | 0.88831 | 0.14814 | 0.36785 |
6 | 0.61169 | 0.64814 | 0.13215 |
7 | 0.11169 | 0.85186 | 0.63215 |
8 | 0.38831 | 0.35186 | 0.86785 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.29974 | 0.15246 | 0.30106 |
2 | 0.20026 | 0.65246 | 0.19894 |
3 | 0.70026 | 0.84754 | 0.69894 |
4 | 0.79974 | 0.34754 | 0.80106 |
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5 | 0.79974 | 0.65246 | 0.30106 |
6 | 0.70026 | 0.15246 | 0.19894 |
7 | 0.20026 | 0.34754 | 0.69894 |
8 | 0.29974 | 0.84754 | 0.80106 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.23364 | 0.49329 | 0.47361 |
2 | 0.26636 | 0.99329 | 0.02639 |
3 | 0.76636 | 0.50671 | 0.52639 |
4 | 0.73364 | 0.00671 | 0.97361 |
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5 | 0.73364 | 0.99329 | 0.47361 |
6 | 0.76636 | 0.49329 | 0.02639 |
7 | 0.26636 | 0.00671 | 0.52639 |
8 | 0.23364 | 0.50671 | 0.97361 |
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