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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.00000 | mx,my,mz | -0.18186 | 0.10500 | 0.00000 |
2 | 0.75000 | 0.25000 | 0.00000 | -mx,my,-mz | 0.18186 | 0.10500 | 0.00000 |
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3 | 0.75000 | 0.75000 | 0.00000 | mx,my,mz | -0.18186 | 0.10500 | 0.00000 |
4 | 0.25000 | 0.75000 | 0.00000 | -mx,my,-mz | 0.18186 | 0.10500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.50000 | 0.00000 | 0,my,0 | 0.00000 | -0.21000 | 0.00000 |
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2 | 0.50000 | 0.00000 | 0.00000 | 0,my,0 | 0.00000 | -0.21000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cd1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.05800 |
2 | 0.00000 | 0.00000 | 0.94200 |
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3 | 0.50000 | 0.50000 | 0.05800 |
4 | 0.50000 | 0.50000 | 0.94200 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.09105 | 0.72685 | 0.12400 |
2 | 0.90895 | 0.72685 | 0.87600 |
3 | 0.90895 | 0.27315 | 0.87600 |
4 | 0.09105 | 0.27315 | 0.12400 |
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5 | 0.59105 | 0.22685 | 0.12400 |
6 | 0.40895 | 0.22685 | 0.87600 |
7 | 0.40895 | 0.77315 | 0.87600 |
8 | 0.59105 | 0.77315 | 0.12400 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.81790 | 0.00000 | 0.12400 |
2 | 0.18210 | 0.00000 | 0.87600 |
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3 | 0.31790 | 0.50000 | 0.12400 |
4 | 0.68210 | 0.50000 | 0.87600 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.66667 | 0.00000 | 0.78200 |
2 | 0.33333 | 0.00000 | 0.21800 |
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3 | 0.16667 | 0.50000 | 0.78200 |
4 | 0.83333 | 0.50000 | 0.21800 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.12300 | 0.63100 | 0.51100 |
2 | 0.87700 | 0.63100 | 0.48900 |
3 | 0.87700 | 0.36900 | 0.48900 |
4 | 0.12300 | 0.36900 | 0.51100 |
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5 | 0.62300 | 0.13100 | 0.51100 |
6 | 0.37700 | 0.13100 | 0.48900 |
7 | 0.37700 | 0.86900 | 0.48900 |
8 | 0.62300 | 0.86900 | 0.51100 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.75400 | 0.00000 | 0.51100 |
2 | 0.24600 | 0.00000 | 0.48900 |
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3 | 0.25400 | 0.50000 | 0.51100 |
4 | 0.74600 | 0.50000 | 0.48900 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.40700 |
2 | 0.00000 | 0.00000 | 0.59300 |
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3 | 0.50000 | 0.50000 | 0.40700 |
4 | 0.50000 | 0.50000 | 0.59300 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.66667 | 0.00000 | 0.60400 |
2 | 0.33333 | 0.00000 | 0.39600 |
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3 | 0.16667 | 0.50000 | 0.60400 |
4 | 0.83333 | 0.50000 | 0.39600 |
Set of atoms in the unit cell related by symmetry with the atom D1_1:
Atom | x | y | z |
1 | 0.10080 | 0.69760 | 0.26100 |
2 | 0.89920 | 0.69760 | 0.73900 |
3 | 0.89920 | 0.30240 | 0.73900 |
4 | 0.10080 | 0.30240 | 0.26100 |
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5 | 0.60080 | 0.19760 | 0.26100 |
6 | 0.39920 | 0.19760 | 0.73900 |
7 | 0.39920 | 0.80240 | 0.73900 |
8 | 0.60080 | 0.80240 | 0.26100 |
Set of atoms in the unit cell related by symmetry with the atom D1_2:
Atom | x | y | z |
1 | 0.79840 | 0.00000 | 0.26100 |
2 | 0.20160 | 0.00000 | 0.73900 |
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3 | 0.29840 | 0.50000 | 0.26100 |
4 | 0.70160 | 0.50000 | 0.73900 |
Set of atoms in the unit cell related by symmetry with the atom H1_1:
Atom | x | y | z |
1 | 0.10080 | 0.69760 | 0.26100 |
2 | 0.89920 | 0.69760 | 0.73900 |
3 | 0.89920 | 0.30240 | 0.73900 |
4 | 0.10080 | 0.30240 | 0.26100 |
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5 | 0.60080 | 0.19760 | 0.26100 |
6 | 0.39920 | 0.19760 | 0.73900 |
7 | 0.39920 | 0.80240 | 0.73900 |
8 | 0.60080 | 0.80240 | 0.26100 |
Set of atoms in the unit cell related by symmetry with the atom H1_2:
Atom | x | y | z |
1 | 0.79840 | 0.00000 | 0.26100 |
2 | 0.20160 | 0.00000 | 0.73900 |
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3 | 0.29840 | 0.50000 | 0.26100 |
4 | 0.70160 | 0.50000 | 0.73900 |
Set of atoms in the unit cell related by symmetry with the atom H2_1:
Atom | x | y | z |
1 | 0.03500 | 0.89500 | 0.29000 |
2 | 0.96500 | 0.89500 | 0.71000 |
3 | 0.96500 | 0.10500 | 0.71000 |
4 | 0.03500 | 0.10500 | 0.29000 |
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5 | 0.53500 | 0.39500 | 0.29000 |
6 | 0.46500 | 0.39500 | 0.71000 |
7 | 0.46500 | 0.60500 | 0.71000 |
8 | 0.53500 | 0.60500 | 0.29000 |
Set of atoms in the unit cell related by symmetry with the atom H2_2:
Atom | x | y | z |
1 | 0.93000 | 0.00000 | 0.29000 |
2 | 0.07000 | 0.00000 | 0.71000 |
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3 | 0.43000 | 0.50000 | 0.29000 |
4 | 0.57000 | 0.50000 | 0.71000 |
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