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 Nd1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,0,0 | 0.50000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.33333 | mx,0,0 | 0.50000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.66667 | mx,0,0 | 0.50000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.83333 | -mx,0,0 | -0.50000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.16667 | -mx,0,0 | -0.50000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.00000 | 0.50000 | -mx,0,0 | -0.50000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.21777 | 0.33333 | mx,my,mz | 3.80000 | 0.00000 | 0.00000 |
2 | 0.44889 | 0.44890 | 0.00000 | mx-my,-my,-mz | 3.80000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.66666 | 0.88444 | 0.66666 | mx,my,mz | 3.80000 | 0.00000 | 0.00000 |
4 | 0.78223 | 0.11556 | 0.33333 | mx-my,-my,-mz | 3.80000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.00000 | 0.55110 | 0.00000 | mx,my,mz | 3.80000 | 0.00000 | 0.00000 |
6 | 0.11556 | 0.78223 | 0.66667 | mx-my,-my,-mz | 3.80000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.66666 | 0.88444 | 0.16666 | -mx,-my,-mz | -3.80000 | 0.00000 | 0.00000 |
8 | 0.78223 | 0.11556 | 0.83333 | -mx+my,my,mz | -3.80000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.00000 | 0.55110 | 0.50000 | -mx,-my,-mz | -3.80000 | 0.00000 | 0.00000 |
10 | 0.11556 | 0.78223 | 0.16667 | -mx+my,my,mz | -3.80000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.33333 | 0.21777 | 0.83333 | -mx,-my,-mz | -3.80000 | 0.00000 | 0.00000 |
12 | 0.44889 | 0.44890 | 0.50000 | -mx+my,my,mz | -3.80000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.55110 | 0.00000 | 0.00000 | mx,0,0 | 3.80000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.88443 | 0.66667 | 0.33333 | mx,0,0 | 3.80000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.21777 | 0.33333 | 0.66667 | mx,0,0 | 3.80000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.88443 | 0.66667 | 0.83333 | -mx,0,0 | -3.80000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.21777 | 0.33333 | 0.16667 | -mx,0,0 | -3.80000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.55110 | 0.00000 | 0.50000 | -mx,0,0 | -3.80000 | 0.00000 | 0.00000 |
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