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 Cu1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.88600 | 0.88600 | 0.88600 | mx,mx,mx | 0.35000 | 0.35000 | 0.35000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.61400 | 0.11400 | 0.38600 | mx,my,mz | 0.35000 | 0.35000 | 0.35000 |
2 | 0.38600 | 0.61400 | 0.11400 | mz,mx,my | 0.35000 | 0.35000 | 0.35000 |
3 | 0.11400 | 0.38600 | 0.61400 | my,mz,mx | 0.35000 | 0.35000 | 0.35000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.13350 | 0.12110 | 0.87190 | mx,my,mz | -0.35000 | -0.35000 | -0.35000 |
2 | 0.87190 | 0.13350 | 0.12110 | mz,mx,my | -0.35000 | -0.35000 | -0.35000 |
3 | 0.12110 | 0.87190 | 0.13350 | my,mz,mx | -0.35000 | -0.35000 | -0.35000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.36650 | 0.87890 | 0.37190 | mx,my,mz | -0.35000 | -0.35000 | -0.35000 |
2 | 0.37190 | 0.36650 | 0.87890 | mz,mx,my | -0.35000 | -0.35000 | -0.35000 |
3 | 0.87890 | 0.37190 | 0.36650 | my,mz,mx | -0.35000 | -0.35000 | -0.35000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.86650 | 0.62110 | 0.62810 | mx,my,mz | -0.35000 | -0.35000 | -0.35000 |
2 | 0.62810 | 0.86650 | 0.62110 | mz,mx,my | -0.35000 | -0.35000 | -0.35000 |
3 | 0.62110 | 0.62810 | 0.86650 | my,mz,mx | -0.35000 | -0.35000 | -0.35000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.63350 | 0.37890 | 0.12810 | mx,my,mz | -0.35000 | -0.35000 | -0.35000 |
2 | 0.12810 | 0.63350 | 0.37890 | mz,mx,my | -0.35000 | -0.35000 | -0.35000 |
3 | 0.37890 | 0.12810 | 0.63350 | my,mz,mx | -0.35000 | -0.35000 | -0.35000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.01050 | 0.01050 | 0.01050 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.48950 | 0.98950 | 0.51050 |
2 | 0.51050 | 0.48950 | 0.98950 |
3 | 0.98950 | 0.51050 | 0.48950 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.76210 | 0.76210 | 0.76210 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.73790 | 0.23790 | 0.26210 |
2 | 0.26210 | 0.73790 | 0.23790 |
3 | 0.23790 | 0.26210 | 0.73790 |
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.45900 | 0.45900 | 0.45900 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.04100 | 0.54100 | 0.95900 |
2 | 0.95900 | 0.04100 | 0.54100 |
3 | 0.54100 | 0.95900 | 0.04100 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.26990 | 0.48340 | 0.47060 |
2 | 0.47060 | 0.26990 | 0.48340 |
3 | 0.48340 | 0.47060 | 0.26990 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.23010 | 0.51660 | 0.97060 |
2 | 0.97060 | 0.23010 | 0.51660 |
3 | 0.51660 | 0.97060 | 0.23010 |
Set of atoms in the unit cell related by symmetry with the atom O3_3:
Atom | x | y | z |
1 | 0.73010 | 0.98340 | 0.02940 |
2 | 0.02940 | 0.73010 | 0.98340 |
3 | 0.98340 | 0.02940 | 0.73010 |
Set of atoms in the unit cell related by symmetry with the atom O3_4:
Atom | x | y | z |
1 | 0.76990 | 0.01660 | 0.52940 |
2 | 0.52940 | 0.76990 | 0.01660 |
3 | 0.01660 | 0.52940 | 0.76990 |
Set of atoms in the unit cell related by symmetry with the atom Se2_1:
Atom | x | y | z |
1 | 0.21130 | 0.21130 | 0.21130 |
Set of atoms in the unit cell related by symmetry with the atom Se2_2:
Atom | x | y | z |
1 | 0.28870 | 0.78870 | 0.71130 |
2 | 0.71130 | 0.28870 | 0.78870 |
3 | 0.78870 | 0.71130 | 0.28870 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.27100 | 0.18920 | 0.03130 |
2 | 0.03130 | 0.27100 | 0.18920 |
3 | 0.18920 | 0.03130 | 0.27100 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.22900 | 0.81080 | 0.53130 |
2 | 0.53130 | 0.22900 | 0.81080 |
3 | 0.81080 | 0.53130 | 0.22900 |
Set of atoms in the unit cell related by symmetry with the atom O4_3:
Atom | x | y | z |
1 | 0.72900 | 0.68920 | 0.46870 |
2 | 0.46870 | 0.72900 | 0.68920 |
3 | 0.68920 | 0.46870 | 0.72900 |
Set of atoms in the unit cell related by symmetry with the atom O4_4:
Atom | x | y | z |
1 | 0.77100 | 0.31080 | 0.96870 |
2 | 0.96870 | 0.77100 | 0.31080 |
3 | 0.31080 | 0.96870 | 0.77100 |
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