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 | 0.00000 | mx,my,mz | 1.00000 | 2.00000 | 0.00000 |
2 | 0.33333 | 0.66667 | 0.16667 | mx-my,-my,-mz | -1.00000 | -2.00000 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.66667 | mx,my,mz | 1.00000 | 2.00000 | 0.00000 |
4 | 0.66667 | 0.33333 | 0.83333 | mx-my,-my,-mz | -1.00000 | -2.00000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.33333 | mx,my,mz | 1.00000 | 2.00000 | 0.00000 |
6 | 0.00000 | 0.00000 | 0.50000 | mx-my,-my,-mz | -1.00000 | -2.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom C1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.91667 |
4 | 0.33333 | 0.66667 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.58333 |
6 | 0.66667 | 0.33333 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.28130 | 0.00000 | 0.25000 |
2 | 0.71870 | 0.00000 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.61463 | 0.66667 | 0.91667 |
4 | 0.05203 | 0.66667 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.94797 | 0.33333 | 0.58333 |
6 | 0.38537 | 0.33333 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.00000 | 0.28130 | 0.25000 |
2 | 0.05203 | 0.38537 | 0.91667 |
3 | 0.00000 | 0.71870 | 0.75000 |
4 | 0.61463 | 0.94797 | 0.41667 |
(1/3,2/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.94797 | 0.91667 |
6 | 0.38537 | 0.05203 | 0.58333 |
7 | 0.33333 | 0.38537 | 0.41667 |
8 | 0.94797 | 0.61463 | 0.08333 |
(2/3,1/3,1/3) + set click here to show and hide |
9 | 0.66667 | 0.61463 | 0.58333 |
10 | 0.71870 | 0.71870 | 0.25000 |
11 | 0.66667 | 0.05203 | 0.08333 |
12 | 0.28130 | 0.28130 | 0.75000 |
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