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 | 0.00000 | 0.50000 | mx,-mx,mz | 0.00000 | 0.00000 | 4.68000 |
2 | 0.00000 | 0.50000 | 0.50000 | mx,mx,-mz | 0.00000 | 0.00000 | -4.68000 |
3 | 0.50000 | 0.00000 | 0.50000 | -mx,-mx,-mz | 0.00000 | 0.00000 | -4.68000 |
4 | 0.50000 | 0.50000 | 0.50000 | -mx,mx,mz | 0.00000 | 0.00000 | 4.68000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Zr1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.50000 |
2 | 0.75000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ge1:
Atom | x | y | z |
1 | 0.51610 | 0.25000 | 0.00000 |
2 | 0.98390 | 0.25000 | 0.00000 |
3 | 0.48390 | 0.75000 | 0.00000 |
4 | 0.01610 | 0.75000 | 0.00000 |
5 | 0.25000 | 0.51610 | 0.00000 |
6 | 0.25000 | 0.98390 | 0.00000 |
7 | 0.75000 | 0.48390 | 0.00000 |
8 | 0.75000 | 0.01610 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.62670 | 0.37330 | 0.16510 |
2 | 0.62670 | 0.12670 | 0.83490 |
3 | 0.87330 | 0.37330 | 0.83490 |
4 | 0.87330 | 0.12670 | 0.16510 |
5 | 0.37330 | 0.62670 | 0.83490 |
6 | 0.37330 | 0.87330 | 0.16510 |
7 | 0.12670 | 0.62670 | 0.16510 |
8 | 0.12670 | 0.87330 | 0.83490 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.16870 | 0.07320 | 0.26220 |
2 | 0.16870 | 0.42680 | 0.73780 |
3 | 0.33130 | 0.07320 | 0.73780 |
4 | 0.33130 | 0.42680 | 0.26220 |
5 | 0.83130 | 0.92680 | 0.73780 |
6 | 0.83130 | 0.57320 | 0.26220 |
7 | 0.66870 | 0.92680 | 0.26220 |
8 | 0.66870 | 0.57320 | 0.73780 |
9 | 0.42680 | 0.16870 | 0.26220 |
10 | 0.07320 | 0.33130 | 0.26220 |
11 | 0.07320 | 0.16870 | 0.73780 |
12 | 0.42680 | 0.33130 | 0.73780 |
13 | 0.57320 | 0.83130 | 0.73780 |
14 | 0.92680 | 0.66870 | 0.73780 |
15 | 0.92680 | 0.83130 | 0.26220 |
16 | 0.57320 | 0.66870 | 0.26220 |
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