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 V1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.12500 | 0.12500 | 0.08570 | mx,mx,0 | 0.44500 | 0.44500 | 0.00000 |
2 | 0.87500 | 0.37500 | 0.91430 | -mx,-mx,0 | -0.44500 | -0.44500 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.62500 | 0.62500 | 0.08570 | mx,mx,0 | 0.44500 | 0.44500 | 0.00000 |
4 | 0.37500 | 0.87500 | 0.91430 | -mx,-mx,0 | -0.44500 | -0.44500 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.62500 | 0.12500 | 0.08570 | -mx,-mx,0 | -0.44500 | -0.44500 | 0.00000 |
6 | 0.37500 | 0.37500 | 0.91430 | mx,mx,0 | 0.44500 | 0.44500 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.12500 | 0.62500 | 0.08570 | -mx,-mx,0 | -0.44500 | -0.44500 | 0.00000 |
8 | 0.87500 | 0.87500 | 0.91430 | mx,mx,0 | 0.44500 | 0.44500 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Li1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
2 | 0.75000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.50000 |
4 | 0.25000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.50000 |
6 | 0.25000 | 0.25000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.50000 |
8 | 0.75000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Li1_2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.50000 |
2 | 0.50000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.50000 | 0.50000 |
4 | 0.00000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.75000 | 0.00000 | 0.50000 |
6 | 0.00000 | 0.25000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.25000 | 0.50000 | 0.50000 |
8 | 0.50000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Si1:
Atom | x | y | z |
1 | 0.37500 | 0.12500 | 0.00000 |
2 | 0.12500 | 0.37500 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.87500 | 0.62500 | 0.00000 |
4 | 0.62500 | 0.87500 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.87500 | 0.12500 | 0.00000 |
6 | 0.62500 | 0.37500 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.37500 | 0.62500 | 0.00000 |
8 | 0.12500 | 0.87500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.12500 | 0.47835 | 0.21800 |
2 | 0.62500 | 0.77165 | 0.21800 |
3 | 0.52165 | 0.37500 | 0.78200 |
4 | 0.72835 | 0.37500 | 0.78200 |
5 | 0.37500 | 0.02165 | 0.78200 |
6 | 0.37500 | 0.22835 | 0.78200 |
7 | 0.97835 | 0.12500 | 0.21800 |
8 | 0.27165 | 0.62500 | 0.21800 |
(1/2,1/2,0) + set click here to show and hide |
9 | 0.62500 | 0.97835 | 0.21800 |
10 | 0.12500 | 0.27165 | 0.21800 |
11 | 0.02165 | 0.87500 | 0.78200 |
12 | 0.22835 | 0.87500 | 0.78200 |
13 | 0.87500 | 0.52165 | 0.78200 |
14 | 0.87500 | 0.72835 | 0.78200 |
15 | 0.47835 | 0.62500 | 0.21800 |
16 | 0.77165 | 0.12500 | 0.21800 |
(1/2,0,0)' + set click here to show and hide |
17 | 0.62500 | 0.47835 | 0.21800 |
18 | 0.12500 | 0.77165 | 0.21800 |
19 | 0.02165 | 0.37500 | 0.78200 |
20 | 0.22835 | 0.37500 | 0.78200 |
21 | 0.87500 | 0.02165 | 0.78200 |
22 | 0.87500 | 0.22835 | 0.78200 |
23 | 0.47835 | 0.12500 | 0.21800 |
24 | 0.77165 | 0.62500 | 0.21800 |
(0,1/2,0)' + set click here to show and hide |
25 | 0.12500 | 0.97835 | 0.21800 |
26 | 0.62500 | 0.27165 | 0.21800 |
27 | 0.52165 | 0.87500 | 0.78200 |
28 | 0.72835 | 0.87500 | 0.78200 |
29 | 0.37500 | 0.52165 | 0.78200 |
30 | 0.37500 | 0.72835 | 0.78200 |
31 | 0.97835 | 0.62500 | 0.21800 |
32 | 0.27165 | 0.12500 | 0.21800 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.12500 | 0.12500 | 0.72090 |
2 | 0.87500 | 0.37500 | 0.27910 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.62500 | 0.62500 | 0.72090 |
4 | 0.37500 | 0.87500 | 0.27910 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.62500 | 0.12500 | 0.72090 |
6 | 0.37500 | 0.37500 | 0.27910 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.12500 | 0.62500 | 0.72090 |
8 | 0.87500 | 0.87500 | 0.27910 |
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