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 Ir1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,0 | 0.05000 | 0.19000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.75000 | mx,-my,0 | 0.05000 | -0.19000 | 0.00000 |
3 | 0.50000 | 0.00000 | 0.75000 | mx,my,0 | 0.05000 | 0.19000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.00000 | mx,-my,0 | 0.05000 | -0.19000 | 0.00000 |
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5 | 0.50000 | 0.50000 | 0.50000 | mx,my,0 | 0.05000 | 0.19000 | 0.00000 |
6 | 0.50000 | 0.00000 | 0.25000 | mx,-my,0 | 0.05000 | -0.19000 | 0.00000 |
7 | 0.00000 | 0.50000 | 0.25000 | mx,my,0 | 0.05000 | 0.19000 | 0.00000 |
8 | 0.00000 | 0.00000 | 0.50000 | mx,-my,0 | 0.05000 | -0.19000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Sr1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.17573 |
2 | 0.00000 | 0.50000 | 0.57427 |
3 | 0.50000 | 0.00000 | 0.57427 |
4 | 0.50000 | 0.50000 | 0.17573 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.67573 |
6 | 0.50000 | 0.00000 | 0.07427 |
7 | 0.00000 | 0.50000 | 0.07427 |
8 | 0.00000 | 0.00000 | 0.67573 |
Set of atoms in the unit cell related by symmetry with the atom Sr1_2:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.42573 |
2 | 0.00000 | 0.00000 | 0.32427 |
3 | 0.50000 | 0.50000 | 0.32427 |
4 | 0.50000 | 0.00000 | 0.42573 |
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5 | 0.50000 | 0.00000 | 0.92573 |
6 | 0.50000 | 0.50000 | 0.82427 |
7 | 0.00000 | 0.00000 | 0.82427 |
8 | 0.00000 | 0.50000 | 0.92573 |
Set of atoms in the unit cell related by symmetry with the atom Sn1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.75000 |
3 | 0.50000 | 0.00000 | 0.75000 |
4 | 0.50000 | 0.50000 | 0.00000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.50000 |
6 | 0.50000 | 0.00000 | 0.25000 |
7 | 0.00000 | 0.50000 | 0.25000 |
8 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.19810 | 0.19810 | 0.25000 |
2 | 0.19810 | 0.30190 | 0.50000 |
3 | 0.30190 | 0.80190 | 0.50000 |
4 | 0.30190 | 0.69810 | 0.25000 |
5 | 0.80190 | 0.80190 | 0.25000 |
6 | 0.30190 | 0.19810 | 0.00000 |
7 | 0.69810 | 0.19810 | 0.50000 |
8 | 0.19810 | 0.80190 | 0.75000 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.69810 | 0.69810 | 0.75000 |
10 | 0.69810 | 0.80190 | 0.00000 |
11 | 0.80190 | 0.30190 | 0.00000 |
12 | 0.80190 | 0.19810 | 0.75000 |
13 | 0.30190 | 0.30190 | 0.75000 |
14 | 0.80190 | 0.69810 | 0.50000 |
15 | 0.19810 | 0.69810 | 0.00000 |
16 | 0.69810 | 0.30190 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.30190 | 0.30190 | 0.25000 |
2 | 0.30190 | 0.19810 | 0.50000 |
3 | 0.19810 | 0.69810 | 0.50000 |
4 | 0.19810 | 0.80190 | 0.25000 |
5 | 0.69810 | 0.69810 | 0.25000 |
6 | 0.19810 | 0.30190 | 0.00000 |
7 | 0.80190 | 0.30190 | 0.50000 |
8 | 0.30190 | 0.69810 | 0.75000 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.80190 | 0.80190 | 0.75000 |
10 | 0.80190 | 0.69810 | 0.00000 |
11 | 0.69810 | 0.19810 | 0.00000 |
12 | 0.69810 | 0.30190 | 0.75000 |
13 | 0.19810 | 0.19810 | 0.75000 |
14 | 0.69810 | 0.80190 | 0.50000 |
15 | 0.30190 | 0.80190 | 0.00000 |
16 | 0.80190 | 0.19810 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.07974 |
2 | 0.00000 | 0.50000 | 0.67026 |
3 | 0.50000 | 0.00000 | 0.67026 |
4 | 0.50000 | 0.50000 | 0.07974 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.57974 |
6 | 0.50000 | 0.00000 | 0.17026 |
7 | 0.00000 | 0.50000 | 0.17026 |
8 | 0.00000 | 0.00000 | 0.57974 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.32974 |
2 | 0.00000 | 0.00000 | 0.42026 |
3 | 0.50000 | 0.50000 | 0.42026 |
4 | 0.50000 | 0.00000 | 0.32974 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.82974 |
6 | 0.50000 | 0.50000 | 0.92026 |
7 | 0.00000 | 0.00000 | 0.92026 |
8 | 0.00000 | 0.50000 | 0.82974 |
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