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 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | 3.06000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50000 | 0,0,mz | 0.00000 | 0.00000 | 3.06000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 | 0,0,mz | 0.00000 | 0.00000 | 3.06000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | 3.06000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mo1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.50000 | 0.50000 | 0,0,mz | 0.00000 | 0.00000 | -1.47000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | -1.47000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | -1.47000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 | 0,0,mz | 0.00000 | 0.00000 | -1.47000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Pb1:
Atom | x | y | z |
1 | 0.22981 | 0.22981 | 0.22981 |
2 | 0.22981 | 0.77019 | 0.22981 |
3 | 0.77019 | 0.22981 | 0.22981 |
4 | 0.77019 | 0.77019 | 0.22981 |
5 | 0.77019 | 0.77019 | 0.77019 |
6 | 0.77019 | 0.22981 | 0.77019 |
7 | 0.22981 | 0.77019 | 0.77019 |
8 | 0.22981 | 0.22981 | 0.77019 |
(0,1/2,1/2) + set click here to show and hide |
9 | 0.22981 | 0.72981 | 0.72981 |
10 | 0.22981 | 0.27019 | 0.72981 |
11 | 0.77019 | 0.72981 | 0.72981 |
12 | 0.77019 | 0.27019 | 0.72981 |
13 | 0.77019 | 0.27019 | 0.27019 |
14 | 0.77019 | 0.72981 | 0.27019 |
15 | 0.22981 | 0.27019 | 0.27019 |
16 | 0.22981 | 0.72981 | 0.27019 |
(1/2,0,1/2) + set click here to show and hide |
17 | 0.72981 | 0.22981 | 0.72981 |
18 | 0.72981 | 0.77019 | 0.72981 |
19 | 0.27019 | 0.22981 | 0.72981 |
20 | 0.27019 | 0.77019 | 0.72981 |
21 | 0.27019 | 0.77019 | 0.27019 |
22 | 0.27019 | 0.22981 | 0.27019 |
23 | 0.72981 | 0.77019 | 0.27019 |
24 | 0.72981 | 0.22981 | 0.27019 |
(1/2,1/2,0) + set click here to show and hide |
25 | 0.72981 | 0.72981 | 0.22981 |
26 | 0.72981 | 0.27019 | 0.22981 |
27 | 0.27019 | 0.72981 | 0.22981 |
28 | 0.27019 | 0.27019 | 0.22981 |
29 | 0.27019 | 0.27019 | 0.77019 |
30 | 0.27019 | 0.72981 | 0.77019 |
31 | 0.72981 | 0.27019 | 0.77019 |
32 | 0.72981 | 0.72981 | 0.77019 |
Set of atoms in the unit cell related by symmetry with the atom Mo2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Fe2:
Atom | x | y | z |
1 | 0.50000 | 0.50000 | 0.50000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.74580 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.25420 | 0.00000 |
3 | 0.00000 | 0.74580 | 0.00000 |
4 | 0.25420 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.74580 | 0.50000 | 0.50000 |
6 | 0.00000 | 0.75420 | 0.50000 |
7 | 0.00000 | 0.24580 | 0.50000 |
8 | 0.25420 | 0.50000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.24580 | 0.00000 | 0.50000 |
10 | 0.50000 | 0.25420 | 0.50000 |
11 | 0.50000 | 0.74580 | 0.50000 |
12 | 0.75420 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.24580 | 0.50000 | 0.00000 |
14 | 0.50000 | 0.75420 | 0.00000 |
15 | 0.50000 | 0.24580 | 0.00000 |
16 | 0.75420 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.74580 |
2 | 0.00000 | 0.00000 | 0.25420 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.24580 |
4 | 0.00000 | 0.50000 | 0.75420 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.24580 |
6 | 0.50000 | 0.00000 | 0.75420 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.74580 |
8 | 0.50000 | 0.50000 | 0.25420 |
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