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 Co1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.66670 | 0.33330 | 0.25000 | 0,0,mz | 0.00000 | 0.00000 | 1.60000 |
2 | 0.33340 | 0.66670 | 0.75000 | 0,0,mz | 0.00000 | 0.00000 | 1.60000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33330 | 0.16670 | 0.75000 | mx,my,mz | 1.56000 | 0.78000 | -0.53333 |
2 | 0.83330 | 0.16660 | 0.75000 | -my,mx-my,mz | -0.78000 | 0.78000 | -0.53333 |
3 | 0.83340 | 0.66670 | 0.75000 | -mx+my,-mx,mz | -0.78000 | -1.56000 | -0.53333 |
4 | 0.16660 | 0.83330 | 0.25000 | -mx+my,my,mz | -0.78000 | 0.78000 | -0.53333 |
5 | 0.16670 | 0.33330 | 0.25000 | -my,-mx,mz | -0.78000 | -1.56000 | -0.53333 |
6 | 0.66670 | 0.83340 | 0.25000 | mx,mx-my,mz | 1.56000 | 0.78000 | -0.53333 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ta1_1:
Atom | x | y | z |
1 | 0.66670 | 0.33330 | 0.50090 |
2 | 0.33340 | 0.66670 | 0.49910 |
Set of atoms in the unit cell related by symmetry with the atom Ta1_2:
Atom | x | y | z |
1 | 0.33330 | 0.16670 | 0.00090 |
2 | 0.83330 | 0.16660 | 0.00090 |
3 | 0.83340 | 0.66670 | 0.00090 |
4 | 0.16660 | 0.83330 | 0.99910 |
5 | 0.16670 | 0.33330 | 0.99910 |
6 | 0.66670 | 0.83340 | 0.99910 |
Set of atoms in the unit cell related by symmetry with the atom Ta1_3:
Atom | x | y | z |
1 | 0.33330 | 0.16670 | 0.49910 |
2 | 0.83330 | 0.16660 | 0.49910 |
3 | 0.83340 | 0.66670 | 0.49910 |
4 | 0.16660 | 0.83330 | 0.50090 |
5 | 0.16670 | 0.33330 | 0.50090 |
6 | 0.66670 | 0.83340 | 0.50090 |
Set of atoms in the unit cell related by symmetry with the atom Ta1_4:
Atom | x | y | z |
1 | 0.66670 | 0.33330 | 0.99910 |
2 | 0.33340 | 0.66670 | 0.00090 |
Set of atoms in the unit cell related by symmetry with the atom Ta2_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ta2_2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ta2_3:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ta2_4:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.50000 |
2 | 0.00000 | 0.50000 | 0.50000 |
3 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom S1_1:
Atom | x | y | z |
1 | 0.16730 | 0.00030 | 0.13160 |
2 | 0.99970 | 0.16700 | 0.13160 |
3 | 0.83300 | 0.83270 | 0.13160 |
4 | 0.16700 | 0.99970 | 0.86840 |
5 | 0.00030 | 0.16730 | 0.86840 |
6 | 0.83270 | 0.83300 | 0.86840 |
Set of atoms in the unit cell related by symmetry with the atom S1_2:
Atom | x | y | z |
1 | 0.49970 | 0.16700 | 0.13160 |
2 | 0.83300 | 0.33270 | 0.13160 |
3 | 0.66730 | 0.50030 | 0.13160 |
4 | 0.33270 | 0.83300 | 0.86840 |
5 | 0.16700 | 0.49970 | 0.86840 |
6 | 0.50030 | 0.66730 | 0.86840 |
Set of atoms in the unit cell related by symmetry with the atom S1_3:
Atom | x | y | z |
1 | 0.33310 | 0.83280 | 0.13160 |
2 | 0.16720 | 0.50030 | 0.13160 |
3 | 0.49970 | 0.66690 | 0.13160 |
4 | 0.50030 | 0.16720 | 0.86840 |
5 | 0.83280 | 0.33310 | 0.86840 |
6 | 0.66690 | 0.49970 | 0.86840 |
Set of atoms in the unit cell related by symmetry with the atom S1_4:
Atom | x | y | z |
1 | 0.83280 | 0.99970 | 0.63160 |
2 | 0.00030 | 0.83310 | 0.63160 |
3 | 0.16690 | 0.16720 | 0.63160 |
4 | 0.83310 | 0.00030 | 0.36840 |
5 | 0.99970 | 0.83280 | 0.36840 |
6 | 0.16720 | 0.16690 | 0.36840 |
Set of atoms in the unit cell related by symmetry with the atom S1_5:
Atom | x | y | z |
1 | 0.50030 | 0.83310 | 0.63160 |
2 | 0.16690 | 0.66720 | 0.63160 |
3 | 0.33280 | 0.49970 | 0.63160 |
4 | 0.66720 | 0.16690 | 0.36840 |
5 | 0.83310 | 0.50030 | 0.36840 |
6 | 0.49970 | 0.33280 | 0.36840 |
Set of atoms in the unit cell related by symmetry with the atom S1_6:
Atom | x | y | z |
1 | 0.66700 | 0.16730 | 0.63160 |
2 | 0.83270 | 0.49970 | 0.63160 |
3 | 0.50030 | 0.33300 | 0.63160 |
4 | 0.49970 | 0.83270 | 0.36840 |
5 | 0.16730 | 0.66700 | 0.36840 |
6 | 0.33300 | 0.50030 | 0.36840 |
Set of atoms in the unit cell related by symmetry with the atom S1_7:
Atom | x | y | z |
1 | 0.66730 | 0.00030 | 0.13160 |
2 | 0.99970 | 0.66700 | 0.13160 |
3 | 0.33300 | 0.33270 | 0.13160 |
4 | 0.66700 | 0.99970 | 0.86840 |
5 | 0.00030 | 0.66730 | 0.86840 |
6 | 0.33270 | 0.33300 | 0.86840 |
Set of atoms in the unit cell related by symmetry with the atom S1_8:
Atom | x | y | z |
1 | 0.33280 | 0.99970 | 0.63160 |
2 | 0.00030 | 0.33310 | 0.63160 |
3 | 0.66690 | 0.66720 | 0.63160 |
4 | 0.33310 | 0.00030 | 0.36840 |
5 | 0.99970 | 0.33280 | 0.36840 |
6 | 0.66720 | 0.66690 | 0.36840 |
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