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 | 0.17685 | mx,my,mz | 1.46000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.82315 | mx,my,mz | 1.46000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.51018 | mx,my,mz | 1.46000 | 0.00000 | 0.00000 |
4 | 0.33333 | 0.66667 | 0.15648 | mx,my,mz | 1.46000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.84352 | mx,my,mz | 1.46000 | 0.00000 | 0.00000 |
6 | 0.66667 | 0.33333 | 0.48982 | mx,my,mz | 1.46000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.67685 | -mx,-my,-mz | -1.46000 | 0.00000 | 0.00000 |
8 | 0.00000 | 0.00000 | 0.32315 | -mx,-my,-mz | -1.46000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.01018 | -mx,-my,-mz | -1.46000 | 0.00000 | 0.00000 |
10 | 0.33333 | 0.66667 | 0.65648 | -mx,-my,-mz | -1.46000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.34352 | -mx,-my,-mz | -1.46000 | 0.00000 | 0.00000 |
12 | 0.66667 | 0.33333 | 0.98982 | -mx,-my,-mz | -1.46000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ti1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.06690 |
2 | 0.00000 | 0.00000 | 0.93310 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.40023 |
4 | 0.33333 | 0.66667 | 0.26643 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.73357 |
6 | 0.66667 | 0.33333 | 0.59977 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.56690 |
8 | 0.00000 | 0.00000 | 0.43310 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.90023 |
10 | 0.33333 | 0.66667 | 0.76643 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.23357 |
12 | 0.66667 | 0.33333 | 0.09977 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.33440 | 0.00520 | 0.12330 |
2 | 0.66560 | 0.99480 | 0.87670 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.66773 | 0.67187 | 0.45663 |
4 | 0.99893 | 0.66147 | 0.21003 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.00107 | 0.33853 | 0.78997 |
6 | 0.33227 | 0.32813 | 0.54337 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.33440 | 0.00520 | 0.62330 |
8 | 0.66560 | 0.99480 | 0.37670 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.66773 | 0.67187 | 0.95663 |
10 | 0.99893 | 0.66147 | 0.71003 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.00107 | 0.33853 | 0.28997 |
12 | 0.33227 | 0.32813 | 0.04337 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.99480 | 0.32920 | 0.12330 |
2 | 0.00520 | 0.67080 | 0.87670 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.32813 | 0.99587 | 0.45663 |
4 | 0.33853 | 0.33747 | 0.21003 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66147 | 0.66253 | 0.78997 |
6 | 0.67187 | 0.00413 | 0.54337 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.99480 | 0.32920 | 0.62330 |
8 | 0.00520 | 0.67080 | 0.37670 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.32813 | 0.99587 | 0.95663 |
10 | 0.33853 | 0.33747 | 0.71003 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66147 | 0.66253 | 0.28997 |
12 | 0.67187 | 0.00413 | 0.04337 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.67080 | 0.66560 | 0.12330 |
2 | 0.32920 | 0.33440 | 0.87670 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.00413 | 0.33227 | 0.45663 |
4 | 0.66253 | 0.00107 | 0.21003 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.33747 | 0.99893 | 0.78997 |
6 | 0.99587 | 0.66773 | 0.54337 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.67080 | 0.66560 | 0.62330 |
8 | 0.32920 | 0.33440 | 0.37670 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.00413 | 0.33227 | 0.95663 |
10 | 0.66253 | 0.00107 | 0.71003 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.33747 | 0.99893 | 0.28997 |
12 | 0.99587 | 0.66773 | 0.04337 |
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