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 | 0.50001 | 0.25046 | 0.50000 | mx,my,mz | -0.03000 | 0.12000 | 0.08000 |
2 | 0.49999 | 0.74954 | 0.50000 | mx,my,mz | -0.03000 | 0.12000 | 0.08000 |
3 | 0.49999 | 0.74954 | 0.00000 | mx,my,-mz | -0.03000 | 0.12000 | -0.08000 |
4 | 0.50001 | 0.25046 | 0.00000 | mx,my,-mz | -0.03000 | 0.12000 | -0.08000 |
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 | 0.74954 | 0.24955 | 0.50000 | mx,my,mz | -0.14000 | -0.17000 | 0.00000 |
2 | 0.25046 | 0.75045 | 0.50000 | mx,my,mz | -0.14000 | -0.17000 | 0.00000 |
3 | 0.25046 | 0.75045 | 0.00000 | mx,my,-mz | -0.14000 | -0.17000 | 0.00000 |
4 | 0.74954 | 0.24955 | 0.00000 | mx,my,-mz | -0.14000 | -0.17000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75045 | 0.49999 | 0.50000 | mx,my,mz | 0.15000 | 0.03000 | -0.08000 |
2 | 0.24955 | 0.50001 | 0.50000 | mx,my,mz | 0.15000 | 0.03000 | -0.08000 |
3 | 0.24955 | 0.50001 | 0.00000 | mx,my,-mz | 0.15000 | 0.03000 | 0.08000 |
4 | 0.75045 | 0.49999 | 0.00000 | mx,my,-mz | 0.15000 | 0.03000 | 0.08000 |
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 | 0.24982 | 0.25019 | 0.49711 | mx,my,mz | -0.10000 | -0.26000 | 0.00000 |
2 | 0.75018 | 0.74981 | 0.50289 | mx,my,mz | -0.10000 | -0.26000 | 0.00000 |
3 | 0.75018 | 0.74981 | 0.99711 | mx,my,-mz | -0.10000 | -0.26000 | 0.00000 |
4 | 0.24982 | 0.25019 | 0.00289 | mx,my,-mz | -0.10000 | -0.26000 | 0.00000 |
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 | 0.74981 | 0.99963 | 0.49711 | mx,my,mz | 0.23000 | 0.14000 | -0.11000 |
2 | 0.25019 | 0.00037 | 0.50289 | mx,my,mz | 0.23000 | 0.14000 | -0.11000 |
3 | 0.25019 | 0.00037 | 0.99711 | mx,my,-mz | 0.23000 | 0.14000 | 0.11000 |
4 | 0.74981 | 0.99963 | 0.00289 | mx,my,-mz | 0.23000 | 0.14000 | 0.11000 |
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 | 0.00037 | 0.75018 | 0.49711 | mx,my,mz | -0.14000 | 0.09000 | 0.11000 |
2 | 0.99963 | 0.24982 | 0.50289 | mx,my,mz | -0.14000 | 0.09000 | 0.11000 |
3 | 0.99963 | 0.24982 | 0.99711 | mx,my,-mz | -0.14000 | 0.09000 | -0.11000 |
4 | 0.00037 | 0.75018 | 0.00289 | mx,my,-mz | -0.14000 | 0.09000 | -0.11000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu3_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.37139 | 0.68572 | 0.25000 | mx,my,0 | -0.14000 | -0.12000 | 0.00000 |
2 | 0.62861 | 0.31428 | 0.75000 | mx,my,0 | -0.14000 | -0.12000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu3_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.31428 | 0.68567 | 0.25000 | mx,my,0 | -0.14000 | -0.12000 | 0.00000 |
2 | 0.68572 | 0.31433 | 0.75000 | mx,my,0 | -0.14000 | -0.12000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu3_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.31433 | 0.62861 | 0.25000 | mx,my,0 | -0.14000 | -0.12000 | 0.00000 |
2 | 0.68567 | 0.37139 | 0.75000 | mx,my,0 | -0.14000 | -0.12000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu4_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.31422 | 0.18552 | 0.25000 | mx,my,0 | 0.15000 | 0.07500 | 0.00000 |
2 | 0.68578 | 0.81448 | 0.75000 | mx,my,0 | 0.15000 | 0.07500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu4_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.81448 | 0.12870 | 0.25000 | mx,my,0 | -0.07500 | 0.07500 | 0.00000 |
2 | 0.18552 | 0.87130 | 0.75000 | mx,my,0 | -0.07500 | 0.07500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu4_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.87130 | 0.68578 | 0.25000 | mx,my,0 | -0.07500 | -0.15000 | 0.00000 |
2 | 0.12870 | 0.31422 | 0.75000 | mx,my,0 | -0.07500 | -0.15000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu5_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.31438 | 0.12857 | 0.25000 | mx,my,0 | 0.15000 | 0.07500 | 0.00000 |
2 | 0.68562 | 0.87143 | 0.75000 | mx,my,0 | 0.15000 | 0.07500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu5_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.87143 | 0.18581 | 0.25000 | mx,my,0 | -0.07500 | 0.07500 | 0.00000 |
2 | 0.12857 | 0.81419 | 0.75000 | mx,my,0 | -0.07500 | 0.07500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu5_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.81419 | 0.68562 | 0.25000 | mx,my,0 | -0.07500 | -0.15000 | 0.00000 |
2 | 0.18581 | 0.31438 | 0.75000 | mx,my,0 | -0.07500 | -0.15000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu6_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.37143 | 0.18552 | 0.25000 | mx,my,0 | 0.15000 | 0.07500 | 0.00000 |
2 | 0.62857 | 0.81448 | 0.75000 | mx,my,0 | 0.15000 | 0.07500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu6_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.81448 | 0.18591 | 0.25000 | mx,my,0 | -0.07500 | 0.07500 | 0.00000 |
2 | 0.18552 | 0.81409 | 0.75000 | mx,my,0 | -0.07500 | 0.07500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu6_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.81409 | 0.62857 | 0.25000 | mx,my,0 | -0.07500 | -0.15000 | 0.00000 |
2 | 0.18591 | 0.37143 | 0.75000 | mx,my,0 | -0.07500 | -0.15000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Br1_1:
Atom | x | y | z |
1 | 0.66668 | 0.83382 | 0.25000 |
2 | 0.33332 | 0.16618 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Br1_2:
Atom | x | y | z |
1 | 0.16618 | 0.83286 | 0.25000 |
2 | 0.83382 | 0.16714 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Br1_3:
Atom | x | y | z |
1 | 0.16714 | 0.33332 | 0.25000 |
2 | 0.83286 | 0.66668 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Br2:
Atom | x | y | z |
1 | 0.66667 | 0.33333 | 0.25000 |
2 | 0.33333 | 0.66667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom F1_1:
Atom | x | y | z |
1 | 0.50082 | 0.50085 | 0.25000 |
2 | 0.49918 | 0.49915 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom F1_2:
Atom | x | y | z |
1 | 0.49915 | 0.00000 | 0.25000 |
2 | 0.50085 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom F1_3:
Atom | x | y | z |
1 | 0.00000 | 0.49918 | 0.25000 |
2 | 0.00000 | 0.50082 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom F2:
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 O1_1:
Atom | x | y | z |
1 | 0.60111 | 0.39932 | 0.59179 |
2 | 0.39889 | 0.60068 | 0.40821 |
3 | 0.39889 | 0.60068 | 0.09179 |
4 | 0.60111 | 0.39932 | 0.90821 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.60068 | 0.20179 | 0.59179 |
2 | 0.39932 | 0.79821 | 0.40821 |
3 | 0.39932 | 0.79821 | 0.09179 |
4 | 0.60068 | 0.20179 | 0.90821 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.79821 | 0.39889 | 0.59179 |
2 | 0.20179 | 0.60111 | 0.40821 |
3 | 0.20179 | 0.60111 | 0.09179 |
4 | 0.79821 | 0.39889 | 0.90821 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.39890 | 0.10113 | 0.40759 |
2 | 0.60110 | 0.89887 | 0.59241 |
3 | 0.60110 | 0.89887 | 0.90759 |
4 | 0.39890 | 0.10113 | 0.09241 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.89887 | 0.29777 | 0.40759 |
2 | 0.10113 | 0.70223 | 0.59241 |
3 | 0.10113 | 0.70223 | 0.90759 |
4 | 0.89887 | 0.29777 | 0.09241 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.70223 | 0.60110 | 0.40759 |
2 | 0.29777 | 0.39890 | 0.59241 |
3 | 0.29777 | 0.39890 | 0.90759 |
4 | 0.70223 | 0.60110 | 0.09241 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.39919 | 0.29845 | 0.40882 |
2 | 0.60081 | 0.70155 | 0.59118 |
3 | 0.60081 | 0.70155 | 0.90882 |
4 | 0.39919 | 0.29845 | 0.09118 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.70155 | 0.10074 | 0.40882 |
2 | 0.29845 | 0.89926 | 0.59118 |
3 | 0.29845 | 0.89926 | 0.90882 |
4 | 0.70155 | 0.10074 | 0.09118 |
Set of atoms in the unit cell related by symmetry with the atom O3_3:
Atom | x | y | z |
1 | 0.89926 | 0.60081 | 0.40882 |
2 | 0.10074 | 0.39919 | 0.59118 |
3 | 0.10074 | 0.39919 | 0.90882 |
4 | 0.89926 | 0.60081 | 0.09118 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.20187 | 0.10024 | 0.40823 |
2 | 0.79813 | 0.89976 | 0.59177 |
3 | 0.79813 | 0.89976 | 0.90823 |
4 | 0.20187 | 0.10024 | 0.09177 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.89976 | 0.10163 | 0.40823 |
2 | 0.10024 | 0.89837 | 0.59177 |
3 | 0.10024 | 0.89837 | 0.90823 |
4 | 0.89976 | 0.10163 | 0.09177 |
Set of atoms in the unit cell related by symmetry with the atom O4_3:
Atom | x | y | z |
1 | 0.89837 | 0.79813 | 0.40823 |
2 | 0.10163 | 0.20187 | 0.59177 |
3 | 0.10163 | 0.20187 | 0.90823 |
4 | 0.89837 | 0.79813 | 0.09177 |
Set of atoms in the unit cell related by symmetry with the atom H1_1:
Atom | x | y | z |
1 | 0.55270 | 0.42720 | 0.62800 |
2 | 0.44730 | 0.57280 | 0.37200 |
3 | 0.44730 | 0.57280 | 0.12800 |
4 | 0.55270 | 0.42720 | 0.87200 |
Set of atoms in the unit cell related by symmetry with the atom H1_2:
Atom | x | y | z |
1 | 0.57280 | 0.12550 | 0.62800 |
2 | 0.42720 | 0.87450 | 0.37200 |
3 | 0.42720 | 0.87450 | 0.12800 |
4 | 0.57280 | 0.12550 | 0.87200 |
Set of atoms in the unit cell related by symmetry with the atom H1_3:
Atom | x | y | z |
1 | 0.87450 | 0.44730 | 0.62800 |
2 | 0.12550 | 0.55270 | 0.37200 |
3 | 0.12550 | 0.55270 | 0.12800 |
4 | 0.87450 | 0.44730 | 0.87200 |
Set of atoms in the unit cell related by symmetry with the atom H2_1:
Atom | x | y | z |
1 | 0.45020 | 0.07200 | 0.37700 |
2 | 0.54980 | 0.92800 | 0.62300 |
3 | 0.54980 | 0.92800 | 0.87700 |
4 | 0.45020 | 0.07200 | 0.12300 |
Set of atoms in the unit cell related by symmetry with the atom H2_2:
Atom | x | y | z |
1 | 0.92800 | 0.37820 | 0.37700 |
2 | 0.07200 | 0.62180 | 0.62300 |
3 | 0.07200 | 0.62180 | 0.87700 |
4 | 0.92800 | 0.37820 | 0.12300 |
Set of atoms in the unit cell related by symmetry with the atom H2_3:
Atom | x | y | z |
1 | 0.62180 | 0.54980 | 0.37700 |
2 | 0.37820 | 0.45020 | 0.62300 |
3 | 0.37820 | 0.45020 | 0.87700 |
4 | 0.62180 | 0.54980 | 0.12300 |
Set of atoms in the unit cell related by symmetry with the atom H3_1:
Atom | x | y | z |
1 | 0.42800 | 0.37540 | 0.37500 |
2 | 0.57200 | 0.62460 | 0.62500 |
3 | 0.57200 | 0.62460 | 0.87500 |
4 | 0.42800 | 0.37540 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom H3_2:
Atom | x | y | z |
1 | 0.62460 | 0.05260 | 0.37500 |
2 | 0.37540 | 0.94740 | 0.62500 |
3 | 0.37540 | 0.94740 | 0.87500 |
4 | 0.62460 | 0.05260 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom H3_3:
Atom | x | y | z |
1 | 0.94740 | 0.57200 | 0.37500 |
2 | 0.05260 | 0.42800 | 0.62500 |
3 | 0.05260 | 0.42800 | 0.87500 |
4 | 0.94740 | 0.57200 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom H4_1:
Atom | x | y | z |
1 | 0.12430 | 0.05160 | 0.37000 |
2 | 0.87570 | 0.94840 | 0.63000 |
3 | 0.87570 | 0.94840 | 0.87000 |
4 | 0.12430 | 0.05160 | 0.13000 |
Set of atoms in the unit cell related by symmetry with the atom H4_2:
Atom | x | y | z |
1 | 0.94840 | 0.07270 | 0.37000 |
2 | 0.05160 | 0.92730 | 0.63000 |
3 | 0.05160 | 0.92730 | 0.87000 |
4 | 0.94840 | 0.07270 | 0.13000 |
Set of atoms in the unit cell related by symmetry with the atom H4_3:
Atom | x | y | z |
1 | 0.92730 | 0.87570 | 0.37000 |
2 | 0.07270 | 0.12430 | 0.63000 |
3 | 0.07270 | 0.12430 | 0.87000 |
4 | 0.92730 | 0.87570 | 0.13000 |
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