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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 1.01000 | 0.00000 | 2.80000 |
2 | 0.00000 | 0.50000 | 0.00000 | -mx,my,-mz | -1.01000 | 0.00000 | -2.80000 |
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3 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,-mz | -1.01000 | 0.00000 | -2.80000 |
4 | 0.00000 | 0.50000 | 0.50000 | mx,-my,mz | 1.01000 | 0.00000 | 2.80000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.00000 | 0.00000 | mx,my,mz | 1.01000 | 0.00000 | 2.80000 |
2 | 0.50000 | 0.50000 | 0.00000 | -mx,my,-mz | -1.01000 | 0.00000 | -2.80000 |
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3 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,-mz | -1.01000 | 0.00000 | -2.80000 |
4 | 0.50000 | 0.50000 | 0.50000 | mx,-my,mz | 1.01000 | 0.00000 | 2.80000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.00000 | 0.25000 | mx,my,mz | 0.00000 | 0.00000 | 2.57000 |
2 | 0.75000 | 0.50000 | 0.75000 | -mx,my,-mz | 0.00000 | 0.00000 | -2.57000 |
3 | 0.75000 | 0.00000 | 0.75000 | mx,my,mz | 0.00000 | 0.00000 | 2.57000 |
4 | 0.25000 | 0.50000 | 0.25000 | -mx,my,-mz | 0.00000 | 0.00000 | -2.57000 |
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5 | 0.25000 | 0.00000 | 0.75000 | -mx,-my,-mz | 0.00000 | 0.00000 | -2.57000 |
6 | 0.75000 | 0.50000 | 0.25000 | mx,-my,mz | 0.00000 | 0.00000 | 2.57000 |
7 | 0.75000 | 0.00000 | 0.25000 | -mx,-my,-mz | 0.00000 | 0.00000 | -2.57000 |
8 | 0.25000 | 0.50000 | 0.75000 | mx,-my,mz | 0.00000 | 0.00000 | 2.57000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom La1_1:
Atom | x | y | z |
1 | 0.00970 | 0.25000 | 0.24820 |
2 | 0.99030 | 0.75000 | 0.75180 |
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3 | 0.00970 | 0.25000 | 0.74820 |
4 | 0.99030 | 0.75000 | 0.25180 |
Set of atoms in the unit cell related by symmetry with the atom La1_2:
Atom | x | y | z |
1 | 0.24030 | 0.75000 | 0.49820 |
2 | 0.75970 | 0.25000 | 0.50180 |
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3 | 0.24030 | 0.75000 | 0.99820 |
4 | 0.75970 | 0.25000 | 0.00180 |
Set of atoms in the unit cell related by symmetry with the atom La1_3:
Atom | x | y | z |
1 | 0.25970 | 0.25000 | 0.00180 |
2 | 0.74030 | 0.75000 | 0.99820 |
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3 | 0.25970 | 0.25000 | 0.50180 |
4 | 0.74030 | 0.75000 | 0.49820 |
Set of atoms in the unit cell related by symmetry with the atom La1_4:
Atom | x | y | z |
1 | 0.50970 | 0.25000 | 0.24820 |
2 | 0.49030 | 0.75000 | 0.75180 |
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3 | 0.50970 | 0.25000 | 0.74820 |
4 | 0.49030 | 0.75000 | 0.25180 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.00970 | 0.25000 | 0.24820 |
2 | 0.99030 | 0.75000 | 0.75180 |
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3 | 0.00970 | 0.25000 | 0.74820 |
4 | 0.99030 | 0.75000 | 0.25180 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.24030 | 0.75000 | 0.49820 |
2 | 0.75970 | 0.25000 | 0.50180 |
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3 | 0.24030 | 0.75000 | 0.99820 |
4 | 0.75970 | 0.25000 | 0.00180 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_3:
Atom | x | y | z |
1 | 0.25970 | 0.25000 | 0.00180 |
2 | 0.74030 | 0.75000 | 0.99820 |
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3 | 0.25970 | 0.25000 | 0.50180 |
4 | 0.74030 | 0.75000 | 0.49820 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_4:
Atom | x | y | z |
1 | 0.50970 | 0.25000 | 0.24820 |
2 | 0.49030 | 0.75000 | 0.75180 |
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3 | 0.50970 | 0.25000 | 0.74820 |
4 | 0.49030 | 0.75000 | 0.25180 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.24525 | 0.25000 | 0.28225 |
2 | 0.75475 | 0.75000 | 0.71775 |
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3 | 0.24525 | 0.25000 | 0.78225 |
4 | 0.75475 | 0.75000 | 0.21775 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00475 | 0.75000 | 0.53225 |
2 | 0.99525 | 0.25000 | 0.46775 |
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3 | 0.00475 | 0.75000 | 0.03225 |
4 | 0.99525 | 0.25000 | 0.96775 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.49525 | 0.25000 | 0.96775 |
2 | 0.50475 | 0.75000 | 0.03225 |
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3 | 0.49525 | 0.25000 | 0.46775 |
4 | 0.50475 | 0.75000 | 0.53225 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.74525 | 0.25000 | 0.28225 |
2 | 0.25475 | 0.75000 | 0.71775 |
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3 | 0.74525 | 0.25000 | 0.78225 |
4 | 0.25475 | 0.75000 | 0.21775 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.13600 | 0.03370 | 0.11355 |
2 | 0.86400 | 0.53370 | 0.88645 |
3 | 0.86400 | 0.96630 | 0.88645 |
4 | 0.13600 | 0.46630 | 0.11355 |
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5 | 0.13600 | 0.03370 | 0.61355 |
6 | 0.86400 | 0.53370 | 0.38645 |
7 | 0.86400 | 0.96630 | 0.38645 |
8 | 0.13600 | 0.46630 | 0.61355 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.11400 | 0.96630 | 0.36355 |
2 | 0.88600 | 0.46630 | 0.63645 |
3 | 0.88600 | 0.03370 | 0.63645 |
4 | 0.11400 | 0.53370 | 0.36355 |
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5 | 0.11400 | 0.96630 | 0.86355 |
6 | 0.88600 | 0.46630 | 0.13645 |
7 | 0.88600 | 0.03370 | 0.13645 |
8 | 0.11400 | 0.53370 | 0.86355 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.38600 | 0.46630 | 0.13645 |
2 | 0.61400 | 0.96630 | 0.86355 |
3 | 0.61400 | 0.53370 | 0.86355 |
4 | 0.38600 | 0.03370 | 0.13645 |
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5 | 0.38600 | 0.46630 | 0.63645 |
6 | 0.61400 | 0.96630 | 0.36355 |
7 | 0.61400 | 0.53370 | 0.36355 |
8 | 0.38600 | 0.03370 | 0.63645 |
Set of atoms in the unit cell related by symmetry with the atom O2_4:
Atom | x | y | z |
1 | 0.63600 | 0.03370 | 0.11355 |
2 | 0.36400 | 0.53370 | 0.88645 |
3 | 0.36400 | 0.96630 | 0.88645 |
4 | 0.63600 | 0.46630 | 0.11355 |
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5 | 0.63600 | 0.03370 | 0.61355 |
6 | 0.36400 | 0.53370 | 0.38645 |
7 | 0.36400 | 0.96630 | 0.38645 |
8 | 0.63600 | 0.46630 | 0.61355 |
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