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 | 0.50000 | 0.50000 | mx,my,mz | 0.00000 | 2.95000 | 2.95000 |
2 | 0.50000 | 0.00000 | 0.50000 | -mz,mx,-my | -2.95000 | 0.00000 | -2.95000 |
3 | 0.50000 | 0.50000 | 0.00000 | my,-mz,-mx | 2.95000 | -2.95000 | 0.00000 |
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4 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | 0.00000 | -2.95000 | -2.95000 |
5 | 0.00000 | 0.50000 | 0.00000 | mz,-mx,my | 2.95000 | 0.00000 | 2.95000 |
6 | 0.00000 | 0.00000 | 0.50000 | -my,mz,mx | -2.95000 | 2.95000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom V2:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.50000 |
2 | 0.50000 | 0.00000 | 0.50000 |
3 | 0.50000 | 0.50000 | 0.00000 |
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4 | 0.50000 | 0.00000 | 0.00000 |
5 | 0.00000 | 0.50000 | 0.00000 |
6 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom La:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
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2 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom V1_1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.25000 |
2 | 0.75000 | 0.25000 | 0.75000 |
3 | 0.25000 | 0.75000 | 0.75000 |
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4 | 0.75000 | 0.75000 | 0.75000 |
5 | 0.25000 | 0.75000 | 0.25000 |
6 | 0.75000 | 0.25000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom V1_2:
Atom | x | y | z |
1 | 0.75000 | 0.75000 | 0.25000 |
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2 | 0.25000 | 0.25000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Mn2_1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.25000 |
2 | 0.75000 | 0.25000 | 0.75000 |
3 | 0.25000 | 0.75000 | 0.75000 |
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4 | 0.75000 | 0.75000 | 0.75000 |
5 | 0.25000 | 0.75000 | 0.25000 |
6 | 0.75000 | 0.25000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Mn2_2:
Atom | x | y | z |
1 | 0.75000 | 0.75000 | 0.25000 |
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2 | 0.25000 | 0.25000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O_1:
Atom | x | y | z |
1 | 0.00000 | 0.19330 | 0.29510 |
2 | 0.70490 | 0.00000 | 0.80670 |
3 | 0.19330 | 0.70490 | 0.00000 |
4 | 0.00000 | 0.80670 | 0.70490 |
5 | 0.29510 | 0.00000 | 0.19330 |
6 | 0.80670 | 0.29510 | 0.00000 |
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7 | 0.50000 | 0.69330 | 0.79510 |
8 | 0.20490 | 0.50000 | 0.30670 |
9 | 0.69330 | 0.20490 | 0.50000 |
10 | 0.50000 | 0.30670 | 0.20490 |
11 | 0.79510 | 0.50000 | 0.69330 |
12 | 0.30670 | 0.79510 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O_2:
Atom | x | y | z |
1 | 0.00000 | 0.80670 | 0.29510 |
2 | 0.70490 | 0.00000 | 0.19330 |
3 | 0.80670 | 0.70490 | 0.00000 |
4 | 0.00000 | 0.19330 | 0.70490 |
5 | 0.29510 | 0.00000 | 0.80670 |
6 | 0.19330 | 0.29510 | 0.00000 |
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7 | 0.50000 | 0.30670 | 0.79510 |
8 | 0.20490 | 0.50000 | 0.69330 |
9 | 0.30670 | 0.20490 | 0.50000 |
10 | 0.50000 | 0.69330 | 0.20490 |
11 | 0.79510 | 0.50000 | 0.30670 |
12 | 0.69330 | 0.79510 | 0.50000 |
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