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,mx,0 | 0.34000 | 0.34000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.50000 | -mx,mx,0 | -0.34000 | 0.34000 | 0.00000 |
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3 | 0.50000 | 0.50000 | 0.00000 | -mx,-mx,0 | -0.34000 | -0.34000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.50000 | mx,-mx,0 | 0.34000 | -0.34000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Pr1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.35170 |
2 | 0.50000 | 0.00000 | 0.85170 |
3 | 0.00000 | 0.50000 | 0.14830 |
4 | 0.00000 | 0.00000 | 0.64830 |
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5 | 0.50000 | 0.50000 | 0.35170 |
6 | 0.00000 | 0.50000 | 0.85170 |
7 | 0.50000 | 0.00000 | 0.14830 |
8 | 0.50000 | 0.50000 | 0.64830 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.00000 |
2 | 0.25000 | 0.25000 | 0.50000 |
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3 | 0.75000 | 0.75000 | 0.00000 |
4 | 0.75000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.25000 | 0.75000 | 0.00000 |
2 | 0.75000 | 0.25000 | 0.50000 |
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3 | 0.75000 | 0.25000 | 0.00000 |
4 | 0.25000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.25000 |
2 | 0.25000 | 0.25000 | 0.75000 |
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3 | 0.75000 | 0.75000 | 0.25000 |
4 | 0.75000 | 0.75000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.25000 | 0.75000 | 0.25000 |
2 | 0.75000 | 0.25000 | 0.75000 |
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3 | 0.75000 | 0.25000 | 0.25000 |
4 | 0.25000 | 0.75000 | 0.75000 |
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