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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.50000 | 0.50000 | mx,my,mz | 1.33000 | 1.33000 | 1.33000 |
2 | 0.50000 | 0.00000 | 0.50000 | mz,mx,my | 1.33000 | 1.33000 | 1.33000 |
3 | 0.50000 | 0.50000 | 0.00000 | my,mz,mx | 1.33000 | 1.33000 | 1.33000 |
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4 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | -1.33000 | -1.33000 | -1.33000 |
5 | 0.00000 | 0.50000 | 0.00000 | -mz,-mx,-my | -1.33000 | -1.33000 | -1.33000 |
6 | 0.00000 | 0.00000 | 0.50000 | -my,-mz,-mx | -1.33000 | -1.33000 | -1.33000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.25000 | mx,mx,mx | -1.60000 | -1.60000 | -1.60000 |
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2 | 0.75000 | 0.75000 | 0.75000 | -mx,-mx,-mx | 1.60000 | 1.60000 | 1.60000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75000 | 0.75000 | 0.25000 | mx,my,mz | -1.60000 | -1.60000 | -1.60000 |
2 | 0.25000 | 0.75000 | 0.75000 | mz,mx,my | -1.60000 | -1.60000 | -1.60000 |
3 | 0.75000 | 0.25000 | 0.75000 | my,mz,mx | -1.60000 | -1.60000 | -1.60000 |
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4 | 0.25000 | 0.25000 | 0.75000 | -mx,-my,-mz | 1.60000 | 1.60000 | 1.60000 |
5 | 0.75000 | 0.25000 | 0.25000 | -mz,-mx,-my | 1.60000 | 1.60000 | 1.60000 |
6 | 0.25000 | 0.75000 | 0.25000 | -my,-mz,-mx | 1.60000 | 1.60000 | 1.60000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Bi1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
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2 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.31170 | 0.17760 |
2 | 0.17760 | 0.00000 | 0.31170 |
3 | 0.31170 | 0.17760 | 0.00000 |
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4 | 0.50000 | 0.81170 | 0.67760 |
5 | 0.67760 | 0.50000 | 0.81170 |
6 | 0.81170 | 0.67760 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.68830 | 0.17760 |
2 | 0.17760 | 0.00000 | 0.68830 |
3 | 0.68830 | 0.17760 | 0.00000 |
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4 | 0.50000 | 0.18830 | 0.67760 |
5 | 0.67760 | 0.50000 | 0.18830 |
6 | 0.18830 | 0.67760 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.00000 | 0.31170 | 0.82240 |
2 | 0.82240 | 0.00000 | 0.31170 |
3 | 0.31170 | 0.82240 | 0.00000 |
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4 | 0.50000 | 0.81170 | 0.32240 |
5 | 0.32240 | 0.50000 | 0.81170 |
6 | 0.81170 | 0.32240 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.00000 | 0.68830 | 0.82240 |
2 | 0.82240 | 0.00000 | 0.68830 |
3 | 0.68830 | 0.82240 | 0.00000 |
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4 | 0.50000 | 0.18830 | 0.32240 |
5 | 0.32240 | 0.50000 | 0.18830 |
6 | 0.18830 | 0.32240 | 0.50000 |
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