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 Ru1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
2 | 0.33333 | 0.66667 | 0.16667 | -mx+my,my,mz | -2.80000 | 0.00000 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.66667 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
4 | 0.66667 | 0.33333 | 0.83333 | -mx+my,my,mz | -2.80000 | 0.00000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.33333 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
6 | 0.00000 | 0.00000 | 0.50000 | -mx+my,my,mz | -2.80000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.35696 | 0.00000 | 0.25000 |
2 | 0.64304 | 0.00000 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.69029 | 0.66667 | 0.91667 |
4 | 0.97637 | 0.66667 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.02363 | 0.33333 | 0.58333 |
6 | 0.30971 | 0.33333 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.00000 | 0.35696 | 0.25000 |
2 | 0.00000 | 0.64304 | 0.75000 |
3 | 0.97637 | 0.30971 | 0.91667 |
4 | 0.69029 | 0.02363 | 0.41667 |
(1/3,2/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.02363 | 0.91667 |
6 | 0.33333 | 0.30971 | 0.41667 |
7 | 0.30971 | 0.97637 | 0.58333 |
8 | 0.02363 | 0.69029 | 0.08333 |
(2/3,1/3,1/3) + set click here to show and hide |
9 | 0.66667 | 0.69029 | 0.58333 |
10 | 0.66667 | 0.97637 | 0.08333 |
11 | 0.64304 | 0.64304 | 0.25000 |
12 | 0.35696 | 0.35696 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Li1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.91667 |
4 | 0.33333 | 0.66667 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.58333 |
6 | 0.66667 | 0.33333 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.18345 | 0.02719 | 0.10572 |
2 | 0.81655 | 0.97281 | 0.89428 |
3 | 0.48959 | 0.63948 | 0.06095 |
4 | 0.17707 | 0.69386 | 0.27239 |
(1/3,2/3,2/3) + set click here to show and hide |
5 | 0.51678 | 0.69386 | 0.77239 |
6 | 0.14988 | 0.63948 | 0.56095 |
7 | 0.82293 | 0.30614 | 0.72761 |
8 | 0.51041 | 0.36052 | 0.93905 |
(2/3,1/3,1/3) + set click here to show and hide |
9 | 0.85012 | 0.36052 | 0.43905 |
10 | 0.48322 | 0.30614 | 0.22761 |
11 | 0.15626 | 0.97281 | 0.39428 |
12 | 0.84374 | 0.02719 | 0.60572 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.97281 | 0.15626 | 0.10572 |
2 | 0.02719 | 0.84374 | 0.89428 |
3 | 0.14988 | 0.51041 | 0.06095 |
4 | 0.51678 | 0.82293 | 0.27239 |
(1/3,2/3,2/3) + set click here to show and hide |
5 | 0.30614 | 0.82293 | 0.77239 |
6 | 0.36052 | 0.51041 | 0.56095 |
7 | 0.48322 | 0.17707 | 0.72761 |
8 | 0.85012 | 0.48959 | 0.93905 |
(2/3,1/3,1/3) + set click here to show and hide |
9 | 0.63948 | 0.48959 | 0.43905 |
10 | 0.69386 | 0.17707 | 0.22761 |
11 | 0.81655 | 0.84374 | 0.39428 |
12 | 0.18345 | 0.15626 | 0.60572 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.84374 | 0.81655 | 0.10572 |
2 | 0.15626 | 0.18345 | 0.89428 |
3 | 0.36052 | 0.85012 | 0.06095 |
4 | 0.30614 | 0.48322 | 0.27239 |
(1/3,2/3,2/3) + set click here to show and hide |
5 | 0.17707 | 0.48322 | 0.77239 |
6 | 0.48959 | 0.85012 | 0.56095 |
7 | 0.69386 | 0.51678 | 0.72761 |
8 | 0.63948 | 0.14988 | 0.93905 |
(2/3,1/3,1/3) + set click here to show and hide |
9 | 0.51041 | 0.14988 | 0.43905 |
10 | 0.82293 | 0.51678 | 0.22761 |
11 | 0.02719 | 0.18345 | 0.39428 |
12 | 0.97281 | 0.81655 | 0.60572 |
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