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 Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.50000 | 0.09683 | mx,0,0 | 1.46000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.40317 | -mx,0,0 | -1.46000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.59683 | mx,0,0 | 1.46000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.00000 | 0.90317 | -mx,0,0 | -1.46000 | 0.00000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.09683 | -mx,0,0 | -1.46000 | 0.00000 | 0.00000 |
6 | 0.50000 | 0.00000 | 0.40317 | mx,0,0 | 1.46000 | 0.00000 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.59683 | -mx,0,0 | -1.46000 | 0.00000 | 0.00000 |
8 | 0.50000 | 0.50000 | 0.90317 | mx,0,0 | 1.46000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.50000 |
(1/2,0,1/2)' + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Nd1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.68782 |
2 | 0.50000 | 0.00000 | 0.81218 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.18782 |
4 | 0.50000 | 0.50000 | 0.31218 |
(1/2,1/2,0)' + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.68782 |
6 | 0.00000 | 0.50000 | 0.81218 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.18782 |
8 | 0.00000 | 0.00000 | 0.31218 |
Set of atoms in the unit cell related by symmetry with the atom Ce1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.68782 |
2 | 0.50000 | 0.00000 | 0.81218 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.18782 |
4 | 0.50000 | 0.50000 | 0.31218 |
(1/2,1/2,0)' + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.68782 |
6 | 0.00000 | 0.50000 | 0.81218 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.18782 |
8 | 0.00000 | 0.00000 | 0.31218 |
Set of atoms in the unit cell related by symmetry with the atom Cu1:
Atom | x | y | z |
1 | 0.50000 | 0.50000 | 0.09683 |
2 | 0.00000 | 0.50000 | 0.40317 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.59683 |
4 | 0.00000 | 0.00000 | 0.90317 |
(1/2,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.09683 |
6 | 0.50000 | 0.00000 | 0.40317 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.59683 |
8 | 0.50000 | 0.50000 | 0.90317 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50000 |
(1/2,1/2,0)' + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.00000 |
(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 O2:
Atom | x | y | z |
1 | 0.75000 | 0.25000 | 0.61344 |
2 | 0.75000 | 0.25000 | 0.88656 |
3 | 0.25000 | 0.25000 | 0.88656 |
4 | 0.25000 | 0.25000 | 0.61344 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.11344 |
6 | 0.75000 | 0.75000 | 0.38656 |
7 | 0.25000 | 0.75000 | 0.38656 |
8 | 0.25000 | 0.75000 | 0.11344 |
(1/2,1/2,0)' + set click here to show and hide |
9 | 0.25000 | 0.75000 | 0.61344 |
10 | 0.25000 | 0.75000 | 0.88656 |
11 | 0.75000 | 0.75000 | 0.88656 |
12 | 0.75000 | 0.75000 | 0.61344 |
(1/2,0,1/2)' + set click here to show and hide |
13 | 0.25000 | 0.25000 | 0.11344 |
14 | 0.25000 | 0.25000 | 0.38656 |
15 | 0.75000 | 0.25000 | 0.38656 |
16 | 0.75000 | 0.25000 | 0.11344 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.75000 | 0.25000 | 0.75000 |
2 | 0.25000 | 0.25000 | 0.75000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.25000 |
4 | 0.25000 | 0.75000 | 0.25000 |
(1/2,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.75000 |
6 | 0.75000 | 0.75000 | 0.75000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.25000 | 0.25000 | 0.25000 |
8 | 0.75000 | 0.25000 | 0.25000 |
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