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 Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.16520 | mx,my,mz | -0.20000 | 1.60000 | 0.70000 |
2 | 0.50000 | 0.00000 | 0.83480 | mx,my,mz | -0.20000 | 1.60000 | 0.70000 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.49853 | mx,my,mz | -0.20000 | 1.60000 | 0.70000 |
4 | 0.83333 | 0.33333 | 0.16813 | mx,my,mz | -0.20000 | 1.60000 | 0.70000 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.83187 | mx,my,mz | -0.20000 | 1.60000 | 0.70000 |
6 | 0.16667 | 0.66667 | 0.50147 | mx,my,mz | -0.20000 | 1.60000 | 0.70000 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.49853 | -mx,-my,-mz | 0.20000 | -1.60000 | -0.70000 |
8 | 0.33333 | 0.33333 | 0.16813 | -mx,-my,-mz | 0.20000 | -1.60000 | -0.70000 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.83187 | -mx,-my,-mz | 0.20000 | -1.60000 | -0.70000 |
10 | 0.66667 | 0.66667 | 0.50147 | -mx,-my,-mz | 0.20000 | -1.60000 | -0.70000 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.16520 | -mx,-my,-mz | 0.20000 | -1.60000 | -0.70000 |
12 | 0.00000 | 0.00000 | 0.83480 | -mx,-my,-mz | 0.20000 | -1.60000 | -0.70000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom K1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.28930 |
2 | 0.50000 | 0.00000 | 0.71070 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.62263 |
4 | 0.83333 | 0.33333 | 0.04403 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.95597 |
6 | 0.16667 | 0.66667 | 0.37737 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.62263 |
8 | 0.33333 | 0.33333 | 0.04403 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.95597 |
10 | 0.66667 | 0.66667 | 0.37737 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.28930 |
12 | 0.00000 | 0.00000 | 0.71070 |
Set of atoms in the unit cell related by symmetry with the atom As1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.55990 |
2 | 0.50000 | 0.00000 | 0.44010 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.89323 |
4 | 0.83333 | 0.33333 | 0.77343 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.22657 |
6 | 0.16667 | 0.66667 | 0.10677 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.89323 |
8 | 0.33333 | 0.33333 | 0.77343 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.22657 |
10 | 0.66667 | 0.66667 | 0.10677 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.55990 |
12 | 0.00000 | 0.00000 | 0.44010 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00300 | 0.34540 | 0.12490 |
2 | 0.49700 | 0.65460 | 0.87510 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33633 | 0.67873 | 0.45823 |
4 | 0.83033 | 0.98793 | 0.20843 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66967 | 0.01207 | 0.79157 |
6 | 0.16367 | 0.32127 | 0.54177 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83633 | 0.67873 | 0.45823 |
8 | 0.33033 | 0.98793 | 0.20843 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16967 | 0.01207 | 0.79157 |
10 | 0.66367 | 0.32127 | 0.54177 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50300 | 0.34540 | 0.12490 |
12 | 0.99700 | 0.65460 | 0.87510 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.82730 | 0.66060 | 0.12490 |
2 | 0.67270 | 0.33940 | 0.87510 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.16063 | 0.99393 | 0.45823 |
4 | 0.00603 | 0.67273 | 0.20843 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.49397 | 0.32727 | 0.79157 |
6 | 0.33937 | 0.00607 | 0.54177 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.66063 | 0.99393 | 0.45823 |
8 | 0.50603 | 0.67273 | 0.20843 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.99397 | 0.32727 | 0.79157 |
10 | 0.83937 | 0.00607 | 0.54177 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.32730 | 0.66060 | 0.12490 |
12 | 0.17270 | 0.33940 | 0.87510 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.16970 | 0.99400 | 0.12490 |
2 | 0.33030 | 0.00600 | 0.87510 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.50303 | 0.32733 | 0.45823 |
4 | 0.66363 | 0.33933 | 0.20843 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.83637 | 0.66067 | 0.79157 |
6 | 0.99697 | 0.67267 | 0.54177 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.00303 | 0.32733 | 0.45823 |
8 | 0.16363 | 0.33933 | 0.20843 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.33637 | 0.66067 | 0.79157 |
10 | 0.49697 | 0.67267 | 0.54177 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.66970 | 0.99400 | 0.12490 |
12 | 0.83030 | 0.00600 | 0.87510 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.61830 |
2 | 0.50000 | 0.00000 | 0.38170 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.95163 |
4 | 0.83333 | 0.33333 | 0.71503 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.28497 |
6 | 0.16667 | 0.66667 | 0.04837 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.95163 |
8 | 0.33333 | 0.33333 | 0.71503 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.28497 |
10 | 0.66667 | 0.66667 | 0.04837 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.61830 |
12 | 0.00000 | 0.00000 | 0.38170 |
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