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 Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.00000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
2 | 0.25000 | 0.00000 | 0.00000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
3 | 0.00000 | 0.75000 | 0.00000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.00000 | 0.00000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
(1/4,3/4,1/4) + set click here to show and hide |
5 | 0.25000 | 0.00000 | 0.25000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
6 | 0.50000 | 0.75000 | 0.25000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
7 | 0.25000 | 0.50000 | 0.25000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
8 | 0.00000 | 0.75000 | 0.25000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.50000 | 0.75000 | 0.50000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
10 | 0.75000 | 0.50000 | 0.50000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
11 | 0.50000 | 0.25000 | 0.50000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
12 | 0.25000 | 0.50000 | 0.50000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
(3/4,1/4,3/4) + set click here to show and hide |
13 | 0.75000 | 0.50000 | 0.75000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
14 | 0.00000 | 0.25000 | 0.75000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
15 | 0.75000 | 0.00000 | 0.75000 | mx,my,mz | 3.50000 | 0.00000 | 0.00000 |
16 | 0.50000 | 0.25000 | 0.75000 | my,mx,-mz | 0.00000 | 3.50000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.00000 | 0.25000 | 0.50000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
18 | 0.25000 | 0.00000 | 0.50000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
19 | 0.00000 | 0.75000 | 0.50000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
20 | 0.75000 | 0.00000 | 0.50000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
(1/4,3/4,3/4)' + set click here to show and hide |
21 | 0.25000 | 0.00000 | 0.75000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
22 | 0.50000 | 0.75000 | 0.75000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
23 | 0.25000 | 0.50000 | 0.75000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
24 | 0.00000 | 0.75000 | 0.75000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.50000 | 0.75000 | 0.00000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
26 | 0.75000 | 0.50000 | 0.00000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
27 | 0.50000 | 0.25000 | 0.00000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
28 | 0.25000 | 0.50000 | 0.00000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
(3/4,1/4,1/4)' + set click here to show and hide |
29 | 0.75000 | 0.50000 | 0.25000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
30 | 0.00000 | 0.25000 | 0.25000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
31 | 0.75000 | 0.00000 | 0.25000 | -mx,-my,-mz | -3.50000 | 0.00000 | 0.00000 |
32 | 0.50000 | 0.25000 | 0.25000 | -my,-mx,mz | 0.00000 | -3.50000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.12500 |
2 | 0.00000 | 0.75000 | 0.87500 |
(1/4,3/4,1/4) + set click here to show and hide |
3 | 0.25000 | 0.00000 | 0.37500 |
4 | 0.25000 | 0.50000 | 0.12500 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.62500 |
6 | 0.50000 | 0.25000 | 0.37500 |
(3/4,1/4,3/4) + set click here to show and hide |
7 | 0.75000 | 0.50000 | 0.87500 |
8 | 0.75000 | 0.00000 | 0.62500 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.25000 | 0.62500 |
10 | 0.00000 | 0.75000 | 0.37500 |
(1/4,3/4,3/4)' + set click here to show and hide |
11 | 0.25000 | 0.00000 | 0.87500 |
12 | 0.25000 | 0.50000 | 0.62500 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.50000 | 0.75000 | 0.12500 |
14 | 0.50000 | 0.25000 | 0.87500 |
(3/4,1/4,1/4)' + set click here to show and hide |
15 | 0.75000 | 0.50000 | 0.37500 |
16 | 0.75000 | 0.00000 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.12500 |
2 | 0.75000 | 0.00000 | 0.87500 |
(1/4,3/4,1/4) + set click here to show and hide |
3 | 0.50000 | 0.75000 | 0.37500 |
4 | 0.00000 | 0.75000 | 0.12500 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.50000 | 0.62500 |
6 | 0.25000 | 0.50000 | 0.37500 |
(3/4,1/4,3/4) + set click here to show and hide |
7 | 0.00000 | 0.25000 | 0.87500 |
8 | 0.50000 | 0.25000 | 0.62500 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.00000 | 0.62500 |
10 | 0.75000 | 0.00000 | 0.37500 |
(1/4,3/4,3/4)' + set click here to show and hide |
11 | 0.50000 | 0.75000 | 0.87500 |
12 | 0.00000 | 0.75000 | 0.62500 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.75000 | 0.50000 | 0.12500 |
14 | 0.25000 | 0.50000 | 0.87500 |
(3/4,1/4,1/4)' + set click here to show and hide |
15 | 0.00000 | 0.25000 | 0.37500 |
16 | 0.50000 | 0.25000 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(1/4,3/4,1/4) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.50000 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.75000 |
(3/4,1/4,3/4) + set click here to show and hide |
4 | 0.75000 | 0.25000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.75000 |
(1/4,3/4,3/4)' + set click here to show and hide |
6 | 0.25000 | 0.75000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.25000 |
(3/4,1/4,1/4)' + set click here to show and hide |
8 | 0.75000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.00000 |
(1/4,3/4,1/4) + set click here to show and hide |
2 | 0.50000 | 0.00000 | 0.25000 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.50000 |
(3/4,1/4,3/4) + set click here to show and hide |
4 | 0.00000 | 0.50000 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25000 | 0.50000 |
(1/4,3/4,3/4)' + set click here to show and hide |
6 | 0.50000 | 0.00000 | 0.75000 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.75000 | 0.75000 | 0.00000 |
(3/4,1/4,1/4)' + set click here to show and hide |
8 | 0.00000 | 0.50000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom La1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.34216 |
2 | 0.00000 | 0.00000 | 0.65784 |
(1/4,3/4,1/4) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.59216 |
4 | 0.25000 | 0.75000 | 0.90784 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.84216 |
6 | 0.50000 | 0.50000 | 0.15784 |
(3/4,1/4,3/4) + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.09216 |
8 | 0.75000 | 0.25000 | 0.40784 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.84216 |
10 | 0.00000 | 0.00000 | 0.15784 |
(1/4,3/4,3/4)' + set click here to show and hide |
11 | 0.25000 | 0.75000 | 0.09216 |
12 | 0.25000 | 0.75000 | 0.40784 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.50000 | 0.50000 | 0.34216 |
14 | 0.50000 | 0.50000 | 0.65784 |
(3/4,1/4,1/4)' + set click here to show and hide |
15 | 0.75000 | 0.25000 | 0.59216 |
16 | 0.75000 | 0.25000 | 0.90784 |
Set of atoms in the unit cell related by symmetry with the atom La1_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.59216 |
2 | 0.25000 | 0.25000 | 0.40784 |
(1/4,3/4,1/4) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.84216 |
4 | 0.50000 | 0.00000 | 0.65784 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.09216 |
6 | 0.75000 | 0.75000 | 0.90784 |
(3/4,1/4,3/4) + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.34216 |
8 | 0.00000 | 0.50000 | 0.15784 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.25000 | 0.09216 |
10 | 0.25000 | 0.25000 | 0.90784 |
(1/4,3/4,3/4)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.34216 |
12 | 0.50000 | 0.00000 | 0.15784 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.75000 | 0.75000 | 0.59216 |
14 | 0.75000 | 0.75000 | 0.40784 |
(3/4,1/4,1/4)' + set click here to show and hide |
15 | 0.00000 | 0.50000 | 0.84216 |
16 | 0.00000 | 0.50000 | 0.65784 |
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.04782 |
2 | 0.00000 | 0.00000 | 0.95218 |
(1/4,3/4,1/4) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.29782 |
4 | 0.25000 | 0.75000 | 0.20218 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.54782 |
6 | 0.50000 | 0.50000 | 0.45218 |
(3/4,1/4,3/4) + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.79782 |
8 | 0.75000 | 0.25000 | 0.70218 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.54782 |
10 | 0.00000 | 0.00000 | 0.45218 |
(1/4,3/4,3/4)' + set click here to show and hide |
11 | 0.25000 | 0.75000 | 0.79782 |
12 | 0.25000 | 0.75000 | 0.70218 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.50000 | 0.50000 | 0.04782 |
14 | 0.50000 | 0.50000 | 0.95218 |
(3/4,1/4,1/4)' + set click here to show and hide |
15 | 0.75000 | 0.25000 | 0.29782 |
16 | 0.75000 | 0.25000 | 0.20218 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.29782 |
2 | 0.25000 | 0.25000 | 0.70218 |
(1/4,3/4,1/4) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.54782 |
4 | 0.50000 | 0.00000 | 0.95218 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.79782 |
6 | 0.75000 | 0.75000 | 0.20218 |
(3/4,1/4,3/4) + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.04782 |
8 | 0.00000 | 0.50000 | 0.45218 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.25000 | 0.79782 |
10 | 0.25000 | 0.25000 | 0.20218 |
(1/4,3/4,3/4)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.04782 |
12 | 0.50000 | 0.00000 | 0.45218 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.75000 | 0.75000 | 0.29782 |
14 | 0.75000 | 0.75000 | 0.70218 |
(3/4,1/4,1/4)' + set click here to show and hide |
15 | 0.00000 | 0.50000 | 0.54782 |
16 | 0.00000 | 0.50000 | 0.95218 |
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