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 | 0.75000 | 0,my,mz | 0.00000 | 0.00000 | 2.60000 |
2 | 0.16667 | 0.50000 | 0.25000 | 0,my,-mz | 0.00000 | 0.00000 | -2.60000 |
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3 | 0.50000 | 0.50000 | 0.75000 | 0,-my,-mz | 0.00000 | 0.00000 | -2.60000 |
4 | 0.66667 | 0.00000 | 0.25000 | 0,-my,mz | 0.00000 | 0.00000 | 2.60000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Fe2:
Atom | x | y | z |
1 | 0.83333 | 0.50000 | 0.25000 |
2 | 0.33334 | 0.00000 | 0.75000 |
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3 | 0.33333 | 0.00000 | 0.25000 |
4 | 0.83334 | 0.50000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Nb1:
Atom | x | y | z |
1 | 0.83333 | 0.50000 | 0.00000 |
2 | 0.33333 | 0.00000 | 0.50000 |
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3 | 0.33333 | 0.00000 | 0.00000 |
4 | 0.83333 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Nb2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00115 |
2 | 0.50000 | 0.50000 | 0.49885 |
3 | 0.16667 | 0.50000 | 0.99885 |
4 | 0.66667 | 0.00000 | 0.50115 |
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5 | 0.50000 | 0.50000 | 0.00115 |
6 | 0.00000 | 0.00000 | 0.49885 |
7 | 0.66667 | 0.00000 | 0.99885 |
8 | 0.16667 | 0.50000 | 0.50115 |
Set of atoms in the unit cell related by symmetry with the atom S1_1:
Atom | x | y | z |
1 | 0.99881 | 0.33643 | 0.37082 |
2 | 0.49881 | 0.16357 | 0.12918 |
3 | 0.16786 | 0.83643 | 0.62918 |
4 | 0.66786 | 0.66357 | 0.87082 |
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5 | 0.49881 | 0.83643 | 0.37082 |
6 | 0.99881 | 0.66357 | 0.12918 |
7 | 0.66786 | 0.33643 | 0.62918 |
8 | 0.16786 | 0.16357 | 0.87082 |
Set of atoms in the unit cell related by symmetry with the atom S1_2:
Atom | x | y | z |
1 | 0.83237 | 0.83001 | 0.37082 |
2 | 0.33237 | 0.66999 | 0.12918 |
3 | 0.33430 | 0.33001 | 0.62918 |
4 | 0.83430 | 0.16999 | 0.87082 |
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5 | 0.33237 | 0.33001 | 0.37082 |
6 | 0.83237 | 0.16999 | 0.12918 |
7 | 0.83430 | 0.83001 | 0.62918 |
8 | 0.33430 | 0.66999 | 0.87082 |
Set of atoms in the unit cell related by symmetry with the atom S1_3:
Atom | x | y | z |
1 | 0.66880 | 0.33357 | 0.37082 |
2 | 0.16880 | 0.16643 | 0.12918 |
3 | 0.49787 | 0.83357 | 0.62918 |
4 | 0.99787 | 0.66643 | 0.87082 |
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5 | 0.16880 | 0.83357 | 0.37082 |
6 | 0.66880 | 0.66643 | 0.12918 |
7 | 0.99787 | 0.33357 | 0.62918 |
8 | 0.49787 | 0.16643 | 0.87082 |
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