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 Fe:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.25000 | 0,my,0 | 0.00000 | 0.87000 | 0.00000 |
2 | 0.75000 | 0.75000 | 0.75000 | 0,my,0 | 0.00000 | 0.87000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.25000 | 0,my,0 | 0.00000 | 0.87000 | 0.00000 |
4 | 0.25000 | 0.25000 | 0.75000 | 0,my,0 | 0.00000 | 0.87000 | 0.00000 |
(0,1/2,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.75000 | 0,-my,0 | 0.00000 | -0.87000 | 0.00000 |
6 | 0.75000 | 0.25000 | 0.25000 | 0,-my,0 | 0.00000 | -0.87000 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.75000 | 0,-my,0 | 0.00000 | -0.87000 | 0.00000 |
8 | 0.25000 | 0.75000 | 0.25000 | 0,-my,0 | 0.00000 | -0.87000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.00000 |
(0,1/2,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.50000 |
(1/2,0,1/2)' + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom As:
Atom | x | y | z |
1 | 0.35406 | 0.00000 | 0.00000 |
2 | 0.14594 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.85406 | 0.50000 | 0.00000 |
4 | 0.64594 | 0.50000 | 0.50000 |
(0,1/2,1/2)' + set click here to show and hide |
5 | 0.35406 | 0.50000 | 0.50000 |
6 | 0.14594 | 0.50000 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.85406 | 0.00000 | 0.50000 |
8 | 0.64594 | 0.00000 | 0.00000 |
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