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 | 0.16512 | mx,my,mz | 0.00000 | -1.72000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.83488 | mx,my,mz | 0.00000 | -1.72000 | 0.00000 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.49845 | mx,my,mz | 0.00000 | -1.72000 | 0.00000 |
4 | 0.33333 | 0.33333 | 0.16821 | mx,my,mz | 0.00000 | -1.72000 | 0.00000 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.83179 | mx,my,mz | 0.00000 | -1.72000 | 0.00000 |
6 | 0.66667 | 0.66667 | 0.50155 | mx,my,mz | 0.00000 | -1.72000 | 0.00000 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.49845 | -mx,-my,-mz | 0.00000 | 1.72000 | 0.00000 |
8 | 0.83333 | 0.33333 | 0.16821 | -mx,-my,-mz | 0.00000 | 1.72000 | 0.00000 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.83179 | -mx,-my,-mz | 0.00000 | 1.72000 | 0.00000 |
10 | 0.16667 | 0.66667 | 0.50155 | -mx,-my,-mz | 0.00000 | 1.72000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.16512 | -mx,-my,-mz | 0.00000 | 1.72000 | 0.00000 |
12 | 0.50000 | 0.00000 | 0.83488 | -mx,-my,-mz | 0.00000 | 1.72000 | 0.00000 |
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 | 0.28933 |
2 | 0.00000 | 0.00000 | 0.71067 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.62266 |
4 | 0.33333 | 0.33333 | 0.04400 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.95600 |
6 | 0.66667 | 0.66667 | 0.37734 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.62266 |
8 | 0.83333 | 0.33333 | 0.04400 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.95600 |
10 | 0.16667 | 0.66667 | 0.37734 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.28933 |
12 | 0.50000 | 0.00000 | 0.71067 |
Set of atoms in the unit cell related by symmetry with the atom As1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.56040 |
2 | 0.00000 | 0.00000 | 0.43960 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.89373 |
4 | 0.33333 | 0.33333 | 0.77293 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.22707 |
6 | 0.66667 | 0.66667 | 0.10627 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.89373 |
8 | 0.83333 | 0.33333 | 0.77293 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.22707 |
10 | 0.16667 | 0.66667 | 0.10627 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.56040 |
12 | 0.50000 | 0.00000 | 0.43960 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00235 | 0.34392 | 0.12465 |
2 | 0.99765 | 0.65608 | 0.87535 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33568 | 0.67725 | 0.45798 |
4 | 0.33098 | 0.98941 | 0.20868 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66902 | 0.01059 | 0.79132 |
6 | 0.66432 | 0.32275 | 0.54202 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83568 | 0.67725 | 0.45798 |
8 | 0.83098 | 0.98941 | 0.20868 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16902 | 0.01059 | 0.79132 |
10 | 0.16432 | 0.32275 | 0.54202 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50235 | 0.34392 | 0.12465 |
12 | 0.49765 | 0.65608 | 0.87535 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.82804 | 0.66079 | 0.12465 |
2 | 0.17196 | 0.33921 | 0.87535 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.16137 | 0.99412 | 0.45798 |
4 | 0.50529 | 0.67254 | 0.20868 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.49471 | 0.32746 | 0.79132 |
6 | 0.83863 | 0.00588 | 0.54202 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.66137 | 0.99412 | 0.45798 |
8 | 0.00529 | 0.67254 | 0.20868 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.99471 | 0.32746 | 0.79132 |
10 | 0.33863 | 0.00588 | 0.54202 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.32804 | 0.66079 | 0.12465 |
12 | 0.67196 | 0.33921 | 0.87535 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.16961 | 0.99529 | 0.12465 |
2 | 0.83039 | 0.00471 | 0.87535 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.50294 | 0.32862 | 0.45798 |
4 | 0.16372 | 0.33804 | 0.20868 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.83628 | 0.66196 | 0.79132 |
6 | 0.49706 | 0.67138 | 0.54202 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.00294 | 0.32862 | 0.45798 |
8 | 0.66372 | 0.33804 | 0.20868 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.33628 | 0.66196 | 0.79132 |
10 | 0.99706 | 0.67138 | 0.54202 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.66961 | 0.99529 | 0.12465 |
12 | 0.33039 | 0.00471 | 0.87535 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.61853 |
2 | 0.00000 | 0.00000 | 0.38147 |
(1/3,1/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.95186 |
4 | 0.33333 | 0.33333 | 0.71480 |
(2/3,2/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.28520 |
6 | 0.66667 | 0.66667 | 0.04814 |
(5/6,1/3,1/3)' + set click here to show and hide |
7 | 0.83333 | 0.33333 | 0.95186 |
8 | 0.83333 | 0.33333 | 0.71480 |
(1/6,2/3,2/3)' + set click here to show and hide |
9 | 0.16667 | 0.66667 | 0.28520 |
10 | 0.16667 | 0.66667 | 0.04814 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.61853 |
12 | 0.50000 | 0.00000 | 0.38147 |
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