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 V1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.66667 | 0.25000 | mx,0,mz | 1.50000 | 0.00000 | 0.00000 |
2 | 0.66667 | 0.33333 | 0.75000 | -mx,0,mz | -1.50000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Nb1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Nb2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.99600 |
2 | 0.66667 | 0.33333 | 0.49600 |
3 | 0.66666 | 0.33333 | 0.00400 |
4 | 0.33334 | 0.66667 | 0.50400 |
Set of atoms in the unit cell related by symmetry with the atom S1_1:
Atom | x | y | z |
1 | 0.66330 | 0.00110 | 0.12980 |
2 | 0.33670 | 0.99890 | 0.62980 |
3 | 0.66220 | 0.99890 | 0.87020 |
4 | 0.33780 | 0.00110 | 0.37020 |
Set of atoms in the unit cell related by symmetry with the atom S1_2:
Atom | x | y | z |
1 | 0.99890 | 0.66220 | 0.12980 |
2 | 0.00110 | 0.33780 | 0.62980 |
3 | 0.33670 | 0.33780 | 0.87020 |
4 | 0.66330 | 0.66220 | 0.37020 |
Set of atoms in the unit cell related by symmetry with the atom S1_3:
Atom | x | y | z |
1 | 0.33780 | 0.33670 | 0.12980 |
2 | 0.66220 | 0.66330 | 0.62980 |
3 | 0.00110 | 0.66330 | 0.87020 |
4 | 0.99890 | 0.33670 | 0.37020 |
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