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 | 0.00000 | 0.00000 | mx,my,mz | 4.07000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 | mx-my,mx,mz | 4.07000 | 4.07000 | 0.00000 |
3 | 0.00000 | 0.50000 | 0.00000 | -my,mx-my,mz | 0.00000 | 4.07000 | 0.00000 |
4 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,mz | -4.07000 | 0.00000 | 0.00000 |
5 | 0.50000 | 0.50000 | 0.00000 | -mx+my,-mx,mz | -4.07000 | -4.07000 | 0.00000 |
6 | 0.00000 | 0.50000 | 0.50000 | my,-mx+my,mz | 0.00000 | -4.07000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom F1:
Atom | x | y | z |
1 | 0.49600 | 0.02900 | 0.25000 |
2 | 0.46700 | 0.49600 | 0.75000 |
3 | 0.97100 | 0.46700 | 0.25000 |
4 | 0.50400 | 0.97100 | 0.75000 |
5 | 0.53300 | 0.50400 | 0.25000 |
6 | 0.02900 | 0.53300 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom F2:
Atom | x | y | z |
1 | 0.21110 | 0.78890 | 0.00000 |
2 | 0.42220 | 0.21110 | 0.50000 |
3 | 0.21110 | 0.42220 | 0.00000 |
4 | 0.78890 | 0.21110 | 0.50000 |
5 | 0.57780 | 0.78890 | 0.00000 |
6 | 0.78890 | 0.57780 | 0.50000 |
7 | 0.78890 | 0.21110 | 0.00000 |
8 | 0.57780 | 0.78890 | 0.50000 |
9 | 0.78890 | 0.57780 | 0.00000 |
10 | 0.21110 | 0.78890 | 0.50000 |
11 | 0.42220 | 0.21110 | 0.00000 |
12 | 0.21110 | 0.42220 | 0.50000 |
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