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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.50000 | 0.00000 | mx,my,mz | -2.30000 | -1.80000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.00000 | -my,mx-my,mz | 1.80000 | -0.50000 | 0.00000 |
3 | 0.50000 | 0.00000 | 0.00000 | -mx+my,-mx,mz | 0.50000 | 2.30000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
4 | 0.66667 | 0.83333 | 0.33333 | mx,my,mz | -2.30000 | -1.80000 | 0.00000 |
5 | 0.16667 | 0.83333 | 0.33333 | -my,mx-my,mz | 1.80000 | -0.50000 | 0.00000 |
6 | 0.16667 | 0.33333 | 0.33333 | -mx+my,-mx,mz | 0.50000 | 2.30000 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.33333 | 0.16667 | 0.66667 | mx,my,mz | -2.30000 | -1.80000 | 0.00000 |
8 | 0.83333 | 0.16667 | 0.66667 | -my,mx-my,mz | 1.80000 | -0.50000 | 0.00000 |
9 | 0.83333 | 0.66667 | 0.66667 | -mx+my,-mx,mz | 0.50000 | 2.30000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ni1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
2 | 0.66667 | 0.33333 | 0.33333 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.66667 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
(2/3,1/3,1/3) + set click here to show and hide |
2 | 0.66667 | 0.33333 | 0.83333 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.16667 |
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