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 | 0.00000 | 0.00000 | 0,my,0 | 0.00000 | 4.20000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 | 0,my,0 | 0.00000 | 4.20000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ta1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ta2_1:
Atom | x | y | z |
1 | 0.49210 | 0.98420 | 0.25000 |
2 | 0.50790 | 0.49210 | 0.75000 |
3 | 0.50790 | 0.01580 | 0.75000 |
4 | 0.49210 | 0.50790 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Ta2_2:
Atom | x | y | z |
1 | 0.01580 | 0.50790 | 0.25000 |
2 | 0.98420 | 0.49210 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.12210 |
2 | 0.66667 | 0.33334 | 0.87790 |
3 | 0.33333 | 0.66666 | 0.37790 |
4 | 0.66667 | 0.33333 | 0.62210 |
Set of atoms in the unit cell related by symmetry with the atom S2_1:
Atom | x | y | z |
1 | 0.83190 | 0.66380 | 0.37530 |
2 | 0.16810 | 0.83190 | 0.62470 |
3 | 0.16810 | 0.33620 | 0.62470 |
4 | 0.83190 | 0.16810 | 0.37530 |
5 | 0.83190 | 0.16810 | 0.12470 |
6 | 0.16810 | 0.33620 | 0.87530 |
7 | 0.16810 | 0.83190 | 0.87530 |
8 | 0.83190 | 0.66380 | 0.12470 |
Set of atoms in the unit cell related by symmetry with the atom S2_2:
Atom | x | y | z |
1 | 0.33620 | 0.16810 | 0.37530 |
2 | 0.66380 | 0.83190 | 0.62470 |
3 | 0.33620 | 0.16810 | 0.12470 |
4 | 0.66380 | 0.83190 | 0.87530 |
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