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 | 0.75000 | 0.75000 | 0.75000 | 0,0,mz | 0.00000 | 0.00000 | -2.54000 |
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2 | 0.75000 | 0.25000 | 0.25000 | 0,0,mz | 0.00000 | 0.00000 | -2.54000 |
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3 | 0.25000 | 0.75000 | 0.25000 | 0,0,mz | 0.00000 | 0.00000 | -2.54000 |
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4 | 0.25000 | 0.25000 | 0.75000 | 0,0,mz | 0.00000 | 0.00000 | -2.54000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.37260 | 0.37260 | 0.37260 | mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
2 | 0.62740 | 0.62740 | 0.37260 | -mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
3 | 0.37260 | 0.62740 | 0.62740 | -mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
4 | 0.62740 | 0.37260 | 0.62740 | mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
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5 | 0.37260 | 0.87260 | 0.87260 | mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
6 | 0.62740 | 0.12740 | 0.87260 | -mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
7 | 0.37260 | 0.12740 | 0.12740 | -mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
8 | 0.62740 | 0.87260 | 0.12740 | mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
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9 | 0.87260 | 0.37260 | 0.87260 | mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
10 | 0.12740 | 0.62740 | 0.87260 | -mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
11 | 0.87260 | 0.62740 | 0.12740 | -mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
12 | 0.12740 | 0.37260 | 0.12740 | mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
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13 | 0.87260 | 0.87260 | 0.37260 | mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
14 | 0.12740 | 0.12740 | 0.37260 | -mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
15 | 0.87260 | 0.12740 | 0.62740 | -mx,mx,mz | 0.00000 | 0.00000 | 0.28000 |
16 | 0.12740 | 0.87260 | 0.62740 | mx,-mx,mz | 0.00000 | 0.00000 | 0.28000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Li1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
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2 | 0.00000 | 0.50000 | 0.50000 |
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3 | 0.50000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.13720 | 0.13720 | 0.13720 |
2 | 0.86280 | 0.86280 | 0.13720 |
3 | 0.13720 | 0.86280 | 0.86280 |
4 | 0.86280 | 0.13720 | 0.86280 |
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5 | 0.13720 | 0.63720 | 0.63720 |
6 | 0.86280 | 0.36280 | 0.63720 |
7 | 0.13720 | 0.36280 | 0.36280 |
8 | 0.86280 | 0.63720 | 0.36280 |
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9 | 0.63720 | 0.13720 | 0.63720 |
10 | 0.36280 | 0.86280 | 0.63720 |
11 | 0.63720 | 0.86280 | 0.36280 |
12 | 0.36280 | 0.13720 | 0.36280 |
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13 | 0.63720 | 0.63720 | 0.13720 |
14 | 0.36280 | 0.36280 | 0.13720 |
15 | 0.63720 | 0.36280 | 0.86280 |
16 | 0.36280 | 0.63720 | 0.86280 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.61710 | 0.61710 | 0.61710 |
2 | 0.38290 | 0.38290 | 0.61710 |
3 | 0.61710 | 0.38290 | 0.38290 |
4 | 0.38290 | 0.61710 | 0.38290 |
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5 | 0.61710 | 0.11710 | 0.11710 |
6 | 0.38290 | 0.88290 | 0.11710 |
7 | 0.61710 | 0.88290 | 0.88290 |
8 | 0.38290 | 0.11710 | 0.88290 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.11710 | 0.61710 | 0.11710 |
10 | 0.88290 | 0.38290 | 0.11710 |
11 | 0.11710 | 0.38290 | 0.88290 |
12 | 0.88290 | 0.61710 | 0.88290 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.11710 | 0.11710 | 0.61710 |
14 | 0.88290 | 0.88290 | 0.61710 |
15 | 0.11710 | 0.88290 | 0.38290 |
16 | 0.88290 | 0.11710 | 0.38290 |
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