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 | 0.00000 | 0.16610 | mx,my,mz | 3.83000 | 3.83000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.83390 | -mx,-my,-mz | -3.83000 | -3.83000 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.83277 | mx,my,mz | 3.83000 | 3.83000 | 0.00000 |
4 | 0.33333 | 0.66667 | 0.50057 | -mx,-my,-mz | -3.83000 | -3.83000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.49943 | mx,my,mz | 3.83000 | 3.83000 | 0.00000 |
6 | 0.66667 | 0.33333 | 0.16723 | -mx,-my,-mz | -3.83000 | -3.83000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom P1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.44430 |
2 | 0.00000 | 0.00000 | 0.55570 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.11097 |
4 | 0.33333 | 0.66667 | 0.22237 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.77763 |
6 | 0.66667 | 0.33333 | 0.88903 |
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.33050 | 0.99840 | 0.08180 |
2 | 0.66950 | 0.00160 | 0.91820 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.66383 | 0.66507 | 0.74847 |
4 | 0.00283 | 0.66827 | 0.58487 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.99717 | 0.33173 | 0.41513 |
6 | 0.33617 | 0.33493 | 0.25153 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.00160 | 0.33210 | 0.08180 |
2 | 0.99840 | 0.66790 | 0.91820 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33493 | 0.99877 | 0.74847 |
4 | 0.33173 | 0.33457 | 0.58487 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66827 | 0.66543 | 0.41513 |
6 | 0.66507 | 0.00123 | 0.25153 |
Set of atoms in the unit cell related by symmetry with the atom Se1_3:
Atom | x | y | z |
1 | 0.66790 | 0.66950 | 0.08180 |
2 | 0.33210 | 0.33050 | 0.91820 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.00123 | 0.33617 | 0.74847 |
4 | 0.66543 | 0.99717 | 0.58487 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.33457 | 0.00283 | 0.41513 |
6 | 0.99877 | 0.66383 | 0.25153 |
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