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 | 0.00000 | 0.00000 | 0.00000 | mx,my,0 | 3.74000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.50000 | -mx,my,0 | -3.74000 | 0.00000 | 0.00000 |
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3 | 0.50000 | 0.00000 | 0.50000 | mx,my,0 | 3.74000 | 0.00000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.00000 | -mx,my,0 | -3.74000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.35400 |
2 | 0.00000 | 0.50000 | 0.14600 |
3 | 0.00000 | 0.00000 | 0.64600 |
4 | 0.00000 | 0.50000 | 0.85400 |
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5 | 0.50000 | 0.00000 | 0.85400 |
6 | 0.50000 | 0.50000 | 0.64600 |
7 | 0.50000 | 0.00000 | 0.14600 |
8 | 0.50000 | 0.50000 | 0.35400 |
Set of atoms in the unit cell related by symmetry with the atom La1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.35400 |
2 | 0.00000 | 0.50000 | 0.14600 |
3 | 0.00000 | 0.00000 | 0.64600 |
4 | 0.00000 | 0.50000 | 0.85400 |
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5 | 0.50000 | 0.00000 | 0.85400 |
6 | 0.50000 | 0.50000 | 0.64600 |
7 | 0.50000 | 0.00000 | 0.14600 |
8 | 0.50000 | 0.50000 | 0.35400 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.22200 | 0.27800 | 0.00000 |
2 | 0.77800 | 0.77800 | 0.50000 |
3 | 0.77800 | 0.72200 | 0.00000 |
4 | 0.22200 | 0.22200 | 0.50000 |
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5 | 0.72200 | 0.27800 | 0.50000 |
6 | 0.27800 | 0.77800 | 0.00000 |
7 | 0.27800 | 0.72200 | 0.50000 |
8 | 0.72200 | 0.22200 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.17200 |
2 | 0.00000 | 0.50000 | 0.32800 |
3 | 0.00000 | 0.00000 | 0.82800 |
4 | 0.00000 | 0.50000 | 0.67200 |
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5 | 0.50000 | 0.00000 | 0.67200 |
6 | 0.50000 | 0.50000 | 0.82800 |
7 | 0.50000 | 0.00000 | 0.32800 |
8 | 0.50000 | 0.50000 | 0.17200 |
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