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 V1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,2mx,mz | 0.53500 | 1.07000 | 0.00000 |
2 | 0.00000 | 0.33333 | 0.00000 | mx,-mx,mz | 0.53500 | -0.53500 | 0.00000 |
3 | 0.33333 | 0.33333 | 0.00000 | -2mx,-mx,mz | -1.07000 | -0.53500 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.00000 | mx,2mx,mz | 0.53500 | 1.07000 | 0.00000 |
5 | 0.33333 | 0.00000 | 0.00000 | mx,-mx,mz | 0.53500 | -0.53500 | 0.00000 |
6 | 0.66667 | 0.00000 | 0.00000 | -2mx,-mx,mz | -1.07000 | -0.53500 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.00000 | mx,2mx,mz | 0.53500 | 1.07000 | 0.00000 |
8 | 0.66667 | 0.66667 | 0.00000 | mx,-mx,mz | 0.53500 | -0.53500 | 0.00000 |
9 | 0.00000 | 0.66667 | 0.00000 | -2mx,-mx,mz | -1.07000 | -0.53500 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.00000 | 0.00000 | 0.50000 | -mx,-2mx,-mz | -0.53500 | -1.07000 | 0.00000 |
11 | 0.00000 | 0.33333 | 0.50000 | -mx,mx,-mz | -0.53500 | 0.53500 | 0.00000 |
12 | 0.33333 | 0.33333 | 0.50000 | 2mx,mx,-mz | 1.07000 | 0.53500 | 0.00000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.33333 | 0.66667 | 0.50000 | -mx,-2mx,-mz | -0.53500 | -1.07000 | 0.00000 |
14 | 0.33333 | 0.00000 | 0.50000 | -mx,mx,-mz | -0.53500 | 0.53500 | 0.00000 |
15 | 0.66667 | 0.00000 | 0.50000 | 2mx,mx,-mz | 1.07000 | 0.53500 | 0.00000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.66667 | 0.33333 | 0.50000 | -mx,-2mx,-mz | -0.53500 | -1.07000 | 0.00000 |
17 | 0.66667 | 0.66667 | 0.50000 | -mx,mx,-mz | -0.53500 | 0.53500 | 0.00000 |
18 | 0.00000 | 0.66667 | 0.50000 | 2mx,mx,-mz | 1.07000 | 0.53500 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cl1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.12500 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.44444 | 0.88889 | 0.12500 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.77778 | 0.55555 | 0.12500 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.11111 | 0.22222 | 0.62500 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.44444 | 0.88889 | 0.62500 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.77778 | 0.55555 | 0.62500 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.87500 |
2 | 0.88889 | 0.11111 | 0.87500 |
3 | 0.22222 | 0.44444 | 0.87500 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.55555 | 0.77778 | 0.87500 |
5 | 0.22222 | 0.77778 | 0.87500 |
6 | 0.55556 | 0.11111 | 0.87500 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.88889 | 0.44444 | 0.87500 |
8 | 0.55556 | 0.44445 | 0.87500 |
9 | 0.88889 | 0.77778 | 0.87500 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.22222 | 0.11111 | 0.37500 |
11 | 0.88889 | 0.11111 | 0.37500 |
12 | 0.22222 | 0.44444 | 0.37500 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.55555 | 0.77778 | 0.37500 |
14 | 0.22222 | 0.77778 | 0.37500 |
15 | 0.55556 | 0.11111 | 0.37500 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.88889 | 0.44444 | 0.37500 |
17 | 0.55556 | 0.44445 | 0.37500 |
18 | 0.88889 | 0.77778 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_3:
Atom | x | y | z |
1 | 0.11111 | 0.55556 | 0.12500 |
2 | 0.44445 | 0.55556 | 0.62500 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.44444 | 0.22223 | 0.12500 |
4 | 0.77778 | 0.22223 | 0.62500 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.77778 | 0.88889 | 0.12500 |
6 | 0.11112 | 0.88889 | 0.62500 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.11111 | 0.55556 | 0.62500 |
8 | 0.44445 | 0.55556 | 0.12500 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.44444 | 0.22223 | 0.62500 |
10 | 0.77778 | 0.22223 | 0.12500 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.77778 | 0.88889 | 0.62500 |
12 | 0.11112 | 0.88889 | 0.12500 |
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