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 Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.50000 | 0.25000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.25000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
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3 | 0.50000 | 0.00000 | 0.75000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.75000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.29530 | 0.59100 | 0.24950 | mx,my,mz | 0.00000 | 0.00000 | 2.55000 |
2 | 0.40900 | 0.29530 | 0.24950 | -my,mx,mz | 0.00000 | 0.00000 | 2.55000 |
3 | 0.59100 | 0.70470 | 0.24950 | my,-mx,mz | 0.00000 | 0.00000 | 2.55000 |
4 | 0.70470 | 0.40900 | 0.24950 | -mx,-my,mz | 0.00000 | 0.00000 | 2.55000 |
5 | 0.70470 | 0.40900 | 0.75050 | -mx,-my,-mz | 0.00000 | 0.00000 | -2.55000 |
6 | 0.59100 | 0.70470 | 0.75050 | my,-mx,-mz | 0.00000 | 0.00000 | -2.55000 |
7 | 0.40900 | 0.29530 | 0.75050 | -my,mx,-mz | 0.00000 | 0.00000 | -2.55000 |
8 | 0.29530 | 0.59100 | 0.75050 | mx,my,-mz | 0.00000 | 0.00000 | -2.55000 |
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9 | 0.79530 | 0.09100 | 0.74950 | mx,my,mz | 0.00000 | 0.00000 | 2.55000 |
10 | 0.90900 | 0.79530 | 0.74950 | -my,mx,mz | 0.00000 | 0.00000 | 2.55000 |
11 | 0.09100 | 0.20470 | 0.74950 | my,-mx,mz | 0.00000 | 0.00000 | 2.55000 |
12 | 0.20470 | 0.90900 | 0.74950 | -mx,-my,mz | 0.00000 | 0.00000 | 2.55000 |
13 | 0.20470 | 0.90900 | 0.25050 | -mx,-my,-mz | 0.00000 | 0.00000 | -2.55000 |
14 | 0.09100 | 0.20470 | 0.25050 | my,-mx,-mz | 0.00000 | 0.00000 | -2.55000 |
15 | 0.90900 | 0.79530 | 0.25050 | -my,mx,-mz | 0.00000 | 0.00000 | -2.55000 |
16 | 0.79530 | 0.09100 | 0.25050 | mx,my,-mz | 0.00000 | 0.00000 | -2.55000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom K1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
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2 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom K2:
Atom | x | y | z |
1 | 0.37400 | 0.81600 | 0.00000 |
2 | 0.18400 | 0.37400 | 0.00000 |
3 | 0.81600 | 0.62600 | 0.00000 |
4 | 0.62600 | 0.18400 | 0.00000 |
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5 | 0.87400 | 0.31600 | 0.50000 |
6 | 0.68400 | 0.87400 | 0.50000 |
7 | 0.31600 | 0.12600 | 0.50000 |
8 | 0.12600 | 0.68400 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Se1:
Atom | x | y | z |
1 | 0.38670 | 0.79500 | 0.64480 |
2 | 0.20500 | 0.38670 | 0.64480 |
3 | 0.79500 | 0.61330 | 0.64480 |
4 | 0.61330 | 0.20500 | 0.64480 |
5 | 0.61330 | 0.20500 | 0.35520 |
6 | 0.79500 | 0.61330 | 0.35520 |
7 | 0.20500 | 0.38670 | 0.35520 |
8 | 0.38670 | 0.79500 | 0.35520 |
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9 | 0.88670 | 0.29500 | 0.14480 |
10 | 0.70500 | 0.88670 | 0.14480 |
11 | 0.29500 | 0.11330 | 0.14480 |
12 | 0.11330 | 0.70500 | 0.14480 |
13 | 0.11330 | 0.70500 | 0.85520 |
14 | 0.29500 | 0.11330 | 0.85520 |
15 | 0.70500 | 0.88670 | 0.85520 |
16 | 0.88670 | 0.29500 | 0.85520 |
Set of atoms in the unit cell related by symmetry with the atom Se2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.64200 |
2 | 0.00000 | 0.00000 | 0.35800 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.14200 |
4 | 0.50000 | 0.50000 | 0.85800 |
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