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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
(2/3,2/3,1/6)' + set click here to show and hide |
2 | 0.66667 | 0.66667 | 0.16667 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.33333 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.66667 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
(1/3,1/3,5/6)' + set click here to show and hide |
6 | 0.33333 | 0.33333 | 0.83333 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.93332 | 0.73333 | 0.33333 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
2 | 0.06668 | 0.26667 | 0.66667 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
(2/3,2/3,1/6)' + set click here to show and hide |
3 | 0.59999 | 0.40000 | 0.50000 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
4 | 0.73335 | 0.93334 | 0.83334 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
(1/3,1/3,1/3) + set click here to show and hide |
5 | 0.26665 | 0.06666 | 0.66666 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
6 | 0.40001 | 0.60000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.93332 | 0.73333 | 0.83333 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
8 | 0.06668 | 0.26667 | 0.16667 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
(2/3,2/3,2/3) + set click here to show and hide |
9 | 0.59999 | 0.40000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
10 | 0.73335 | 0.93334 | 0.33334 | mx,my,mz | 0.00000 | 0.00000 | 1.00000 |
(1/3,1/3,5/6)' + set click here to show and hide |
11 | 0.26665 | 0.06666 | 0.16666 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
12 | 0.40001 | 0.60000 | 0.50000 | -mx,-my,-mz | 0.00000 | 0.00000 | -1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.20000 | 0.80000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
2 | 0.80000 | 0.20000 | 0.00000 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
(2/3,2/3,1/6)' + set click here to show and hide |
3 | 0.86667 | 0.46667 | 0.16667 | -mx,-my,-mz | 0.00000 | 0.00000 | 1.00000 |
4 | 0.46667 | 0.86667 | 0.16667 | -mx,-my,-mz | 0.00000 | 0.00000 | 1.00000 |
(1/3,1/3,1/3) + set click here to show and hide |
5 | 0.53333 | 0.13333 | 0.33333 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
6 | 0.13333 | 0.53333 | 0.33333 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.20000 | 0.80000 | 0.50000 | -mx,-my,-mz | 0.00000 | 0.00000 | 1.00000 |
8 | 0.80000 | 0.20000 | 0.50000 | -mx,-my,-mz | 0.00000 | 0.00000 | 1.00000 |
(2/3,2/3,2/3) + set click here to show and hide |
9 | 0.86667 | 0.46667 | 0.66667 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
10 | 0.46667 | 0.86667 | 0.66667 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
(1/3,1/3,5/6)' + set click here to show and hide |
11 | 0.53333 | 0.13333 | 0.83333 | -mx,-my,-mz | 0.00000 | 0.00000 | 1.00000 |
12 | 0.13333 | 0.53333 | 0.83333 | -mx,-my,-mz | 0.00000 | 0.00000 | 1.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cu1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(2/3,2/3,1/6)' + set click here to show and hide |
2 | 0.66667 | 0.66667 | 0.41667 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.58333 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.75000 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.91667 |
(1/3,1/3,5/6)' + set click here to show and hide |
6 | 0.33333 | 0.33333 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom Cu1_2:
Atom | x | y | z |
1 | 0.93332 | 0.73333 | 0.08333 |
2 | 0.06668 | 0.26667 | 0.91667 |
(2/3,2/3,1/6)' + set click here to show and hide |
3 | 0.59999 | 0.40000 | 0.25000 |
4 | 0.73335 | 0.93334 | 0.08334 |
(1/3,1/3,1/3) + set click here to show and hide |
5 | 0.26665 | 0.06666 | 0.41666 |
6 | 0.40001 | 0.60000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.93332 | 0.73333 | 0.58333 |
8 | 0.06668 | 0.26667 | 0.41667 |
(2/3,2/3,2/3) + set click here to show and hide |
9 | 0.59999 | 0.40000 | 0.75000 |
10 | 0.73335 | 0.93334 | 0.58334 |
(1/3,1/3,5/6)' + set click here to show and hide |
11 | 0.26665 | 0.06666 | 0.91666 |
12 | 0.40001 | 0.60000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Cu1_3:
Atom | x | y | z |
1 | 0.20000 | 0.80000 | 0.25000 |
2 | 0.80000 | 0.20000 | 0.75000 |
(2/3,2/3,1/6)' + set click here to show and hide |
3 | 0.86667 | 0.46667 | 0.41667 |
4 | 0.46667 | 0.86667 | 0.91667 |
(1/3,1/3,1/3) + set click here to show and hide |
5 | 0.53333 | 0.13333 | 0.58333 |
6 | 0.13333 | 0.53333 | 0.08333 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.20000 | 0.80000 | 0.75000 |
8 | 0.80000 | 0.20000 | 0.25000 |
(2/3,2/3,2/3) + set click here to show and hide |
9 | 0.86667 | 0.46667 | 0.91667 |
10 | 0.46667 | 0.86667 | 0.41667 |
(1/3,1/3,5/6)' + set click here to show and hide |
11 | 0.53333 | 0.13333 | 0.08333 |
12 | 0.13333 | 0.53333 | 0.58333 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.30300 |
2 | 0.66667 | 0.66667 | 0.86367 |
(2/3,2/3,1/6)' + set click here to show and hide |
3 | 0.66667 | 0.66667 | 0.46967 |
4 | 0.33333 | 0.33333 | 0.03033 |
(1/3,1/3,1/3) + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.63633 |
6 | 0.00000 | 0.00000 | 0.19700 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.80300 |
8 | 0.66667 | 0.66667 | 0.36367 |
(2/3,2/3,2/3) + set click here to show and hide |
9 | 0.66667 | 0.66667 | 0.96967 |
10 | 0.33333 | 0.33333 | 0.53033 |
(1/3,1/3,5/6)' + set click here to show and hide |
11 | 0.33333 | 0.33333 | 0.13633 |
12 | 0.00000 | 0.00000 | 0.69700 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.93332 | 0.73333 | 0.63633 |
2 | 0.93334 | 0.73335 | 0.53034 |
3 | 0.06668 | 0.26667 | 0.36367 |
4 | 0.40000 | 0.59999 | 0.80300 |
(2/3,2/3,1/6)' + set click here to show and hide |
5 | 0.59999 | 0.40000 | 0.80300 |
6 | 0.60000 | 0.40001 | 0.69700 |
7 | 0.73335 | 0.93334 | 0.53034 |
8 | 0.06666 | 0.26665 | 0.96966 |
(1/3,1/3,1/3) + set click here to show and hide |
9 | 0.26665 | 0.06666 | 0.96966 |
10 | 0.26667 | 0.06668 | 0.86367 |
11 | 0.40001 | 0.60000 | 0.69700 |
12 | 0.73333 | 0.93332 | 0.13633 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.93332 | 0.73333 | 0.13633 |
14 | 0.93334 | 0.73335 | 0.03034 |
15 | 0.06668 | 0.26667 | 0.86367 |
16 | 0.40000 | 0.59999 | 0.30300 |
(2/3,2/3,2/3) + set click here to show and hide |
17 | 0.59999 | 0.40000 | 0.30300 |
18 | 0.60000 | 0.40001 | 0.19700 |
19 | 0.73335 | 0.93334 | 0.03034 |
20 | 0.06666 | 0.26665 | 0.46966 |
(1/3,1/3,5/6)' + set click here to show and hide |
21 | 0.26665 | 0.06666 | 0.46966 |
22 | 0.26667 | 0.06668 | 0.36367 |
23 | 0.40001 | 0.60000 | 0.19700 |
24 | 0.73333 | 0.93332 | 0.63633 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.20000 | 0.80000 | 0.30300 |
2 | 0.86667 | 0.46667 | 0.86367 |
3 | 0.80000 | 0.20000 | 0.69700 |
4 | 0.46667 | 0.86667 | 0.46967 |
(2/3,2/3,1/6)' + set click here to show and hide |
5 | 0.86667 | 0.46667 | 0.46967 |
6 | 0.53333 | 0.13333 | 0.03033 |
7 | 0.46667 | 0.86667 | 0.86367 |
8 | 0.13333 | 0.53333 | 0.63633 |
(1/3,1/3,1/3) + set click here to show and hide |
9 | 0.53333 | 0.13333 | 0.63633 |
10 | 0.20000 | 0.80000 | 0.19700 |
11 | 0.13333 | 0.53333 | 0.03033 |
12 | 0.80000 | 0.20000 | 0.80300 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.20000 | 0.80000 | 0.80300 |
14 | 0.86667 | 0.46667 | 0.36367 |
15 | 0.80000 | 0.20000 | 0.19700 |
16 | 0.46667 | 0.86667 | 0.96967 |
(2/3,2/3,2/3) + set click here to show and hide |
17 | 0.86667 | 0.46667 | 0.96967 |
18 | 0.53333 | 0.13333 | 0.53033 |
19 | 0.46667 | 0.86667 | 0.36367 |
20 | 0.13333 | 0.53333 | 0.13633 |
(1/3,1/3,5/6)' + set click here to show and hide |
21 | 0.53333 | 0.13333 | 0.13633 |
22 | 0.20000 | 0.80000 | 0.69700 |
23 | 0.13333 | 0.53333 | 0.53033 |
24 | 0.80000 | 0.20000 | 0.30300 |
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