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 Cr1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,mx,mz | -1.95000 | -1.95000 | -2.90000 |
2 | 0.33333 | 0.66667 | 0.00000 | -mx,0,mz | 1.95000 | 0.00000 | -2.90000 |
3 | 0.66667 | 0.33333 | 0.00000 | 0,-mx,mz | 0.00000 | 1.95000 | -2.90000 |
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 | 0.00000 | 0.00000 | 0.50000 | mx,mx,mz | 1.95000 | 1.95000 | 2.90000 |
2 | 0.33333 | 0.66667 | 0.50000 | -mx,0,mz | -1.95000 | 0.00000 | 2.90000 |
3 | 0.66667 | 0.33333 | 0.50000 | 0,-mx,mz | 0.00000 | -1.95000 | 2.90000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.00000 | 0.33333 | 0.25000 |
2 | 0.33334 | 0.00000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.75000 |
2 | 0.00000 | 0.66667 | 0.75000 |
3 | 0.66667 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Se1_3:
Atom | x | y | z |
1 | 0.66666 | 0.66667 | 0.25000 |
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