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:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.99580 | 0.40258 | 0.03152 | mx,my,mz | 0.10800 | -0.05400 | -0.63000 |
2 | 0.59742 | 0.59322 | 0.03152 | -my,mx-my,mz | 0.05400 | 0.16200 | -0.63000 |
3 | 0.40678 | 0.00420 | 0.03152 | -mx+my,-mx,mz | -0.16200 | -0.10800 | -0.63000 |
4 | 0.00420 | 0.59742 | 0.96848 | mx,my,mz | 0.10800 | -0.05400 | -0.63000 |
5 | 0.40258 | 0.40678 | 0.96848 | -my,mx-my,mz | 0.05400 | 0.16200 | -0.63000 |
6 | 0.59322 | 0.99580 | 0.96848 | -mx+my,-mx,mz | -0.16200 | -0.10800 | -0.63000 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.32913 | 0.06925 | 0.36485 | mx,my,mz | 0.10800 | -0.05400 | -0.63000 |
8 | 0.93075 | 0.25989 | 0.36485 | -my,mx-my,mz | 0.05400 | 0.16200 | -0.63000 |
9 | 0.74011 | 0.67087 | 0.36485 | -mx+my,-mx,mz | -0.16200 | -0.10800 | -0.63000 |
10 | 0.33753 | 0.26409 | 0.30181 | mx,my,mz | 0.10800 | -0.05400 | -0.63000 |
11 | 0.73591 | 0.07345 | 0.30181 | -my,mx-my,mz | 0.05400 | 0.16200 | -0.63000 |
12 | 0.92655 | 0.66247 | 0.30181 | -mx+my,-mx,mz | -0.16200 | -0.10800 | -0.63000 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.66247 | 0.73591 | 0.69819 | mx,my,mz | 0.10800 | -0.05400 | -0.63000 |
14 | 0.26409 | 0.92655 | 0.69819 | -my,mx-my,mz | 0.05400 | 0.16200 | -0.63000 |
15 | 0.07345 | 0.33753 | 0.69819 | -mx+my,-mx,mz | -0.16200 | -0.10800 | -0.63000 |
16 | 0.67087 | 0.93075 | 0.63515 | mx,my,mz | 0.10800 | -0.05400 | -0.63000 |
17 | 0.06925 | 0.74011 | 0.63515 | -my,mx-my,mz | 0.05400 | 0.16200 | -0.63000 |
18 | 0.25989 | 0.32913 | 0.63515 | -mx+my,-mx,mz | -0.16200 | -0.10800 | -0.63000 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.99580 | 0.40258 | 0.53152 | -mx,-my,-mz | -0.10800 | 0.05400 | 0.63000 |
20 | 0.59742 | 0.59322 | 0.53152 | my,-mx+my,-mz | -0.05400 | -0.16200 | 0.63000 |
21 | 0.40678 | 0.00420 | 0.53152 | mx-my,mx,-mz | 0.16200 | 0.10800 | 0.63000 |
22 | 0.00420 | 0.59742 | 0.46848 | -mx,-my,-mz | -0.10800 | 0.05400 | 0.63000 |
23 | 0.40258 | 0.40678 | 0.46848 | my,-mx+my,-mz | -0.05400 | -0.16200 | 0.63000 |
24 | 0.59322 | 0.99580 | 0.46848 | mx-my,mx,-mz | 0.16200 | 0.10800 | 0.63000 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.32913 | 0.06925 | 0.86485 | -mx,-my,-mz | -0.10800 | 0.05400 | 0.63000 |
26 | 0.93075 | 0.25989 | 0.86485 | my,-mx+my,-mz | -0.05400 | -0.16200 | 0.63000 |
27 | 0.74011 | 0.67087 | 0.86485 | mx-my,mx,-mz | 0.16200 | 0.10800 | 0.63000 |
28 | 0.33753 | 0.26409 | 0.80181 | -mx,-my,-mz | -0.10800 | 0.05400 | 0.63000 |
29 | 0.73591 | 0.07345 | 0.80181 | my,-mx+my,-mz | -0.05400 | -0.16200 | 0.63000 |
30 | 0.92655 | 0.66247 | 0.80181 | mx-my,mx,-mz | 0.16200 | 0.10800 | 0.63000 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.66247 | 0.73591 | 0.19819 | -mx,-my,-mz | -0.10800 | 0.05400 | 0.63000 |
32 | 0.26409 | 0.92655 | 0.19819 | my,-mx+my,-mz | -0.05400 | -0.16200 | 0.63000 |
33 | 0.07345 | 0.33753 | 0.19819 | mx-my,mx,-mz | 0.16200 | 0.10800 | 0.63000 |
34 | 0.67087 | 0.93075 | 0.13515 | -mx,-my,-mz | -0.10800 | 0.05400 | 0.63000 |
35 | 0.06925 | 0.74011 | 0.13515 | my,-mx+my,-mz | -0.05400 | -0.16200 | 0.63000 |
36 | 0.25989 | 0.32913 | 0.13515 | mx-my,mx,-mz | 0.16200 | 0.10800 | 0.63000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Si1:
Atom | x | y | z |
1 | 0.04165 | 0.21723 | 0.02055 |
2 | 0.78277 | 0.82442 | 0.02055 |
3 | 0.17558 | 0.95835 | 0.02055 |
4 | 0.95835 | 0.78277 | 0.97945 |
5 | 0.21723 | 0.17558 | 0.97945 |
6 | 0.82442 | 0.04165 | 0.97945 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.37498 | 0.88390 | 0.35388 |
8 | 0.11610 | 0.49109 | 0.35388 |
9 | 0.50891 | 0.62502 | 0.35388 |
10 | 0.29168 | 0.44944 | 0.31278 |
11 | 0.55056 | 0.84225 | 0.31278 |
12 | 0.15775 | 0.70832 | 0.31278 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.70832 | 0.55056 | 0.68722 |
14 | 0.44944 | 0.15775 | 0.68722 |
15 | 0.84225 | 0.29168 | 0.68722 |
16 | 0.62502 | 0.11610 | 0.64612 |
17 | 0.88390 | 0.50891 | 0.64612 |
18 | 0.49109 | 0.37498 | 0.64612 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.04165 | 0.21723 | 0.52055 |
20 | 0.78277 | 0.82442 | 0.52055 |
21 | 0.17558 | 0.95835 | 0.52055 |
22 | 0.95835 | 0.78277 | 0.47945 |
23 | 0.21723 | 0.17558 | 0.47945 |
24 | 0.82442 | 0.04165 | 0.47945 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.37498 | 0.88390 | 0.85388 |
26 | 0.11610 | 0.49109 | 0.85388 |
27 | 0.50891 | 0.62502 | 0.85388 |
28 | 0.29168 | 0.44944 | 0.81278 |
29 | 0.55056 | 0.84225 | 0.81278 |
30 | 0.15775 | 0.70832 | 0.81278 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.70832 | 0.55056 | 0.18722 |
32 | 0.44944 | 0.15775 | 0.18722 |
33 | 0.84225 | 0.29168 | 0.18722 |
34 | 0.62502 | 0.11610 | 0.14612 |
35 | 0.88390 | 0.50891 | 0.14612 |
36 | 0.49109 | 0.37498 | 0.14612 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.10937 | 0.18053 | 0.45847 |
2 | 0.81947 | 0.92884 | 0.45847 |
3 | 0.07116 | 0.89063 | 0.45847 |
4 | 0.89063 | 0.81947 | 0.54153 |
5 | 0.18053 | 0.07116 | 0.54153 |
6 | 0.92884 | 0.10937 | 0.54153 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.44270 | 0.84720 | 0.79180 |
8 | 0.15280 | 0.59551 | 0.79180 |
9 | 0.40449 | 0.55730 | 0.79180 |
10 | 0.22396 | 0.48614 | 0.87486 |
11 | 0.51386 | 0.73783 | 0.87486 |
12 | 0.26217 | 0.77604 | 0.87486 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.77604 | 0.51386 | 0.12514 |
14 | 0.48614 | 0.26217 | 0.12514 |
15 | 0.73783 | 0.22396 | 0.12514 |
16 | 0.55730 | 0.15280 | 0.20820 |
17 | 0.84720 | 0.40449 | 0.20820 |
18 | 0.59551 | 0.44270 | 0.20820 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.10937 | 0.18053 | 0.95847 |
20 | 0.81947 | 0.92884 | 0.95847 |
21 | 0.07116 | 0.89063 | 0.95847 |
22 | 0.89063 | 0.81947 | 0.04153 |
23 | 0.18053 | 0.07116 | 0.04153 |
24 | 0.92884 | 0.10937 | 0.04153 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.44270 | 0.84720 | 0.29180 |
26 | 0.15280 | 0.59551 | 0.29180 |
27 | 0.40449 | 0.55730 | 0.29180 |
28 | 0.22396 | 0.48614 | 0.37486 |
29 | 0.51386 | 0.73783 | 0.37486 |
30 | 0.26217 | 0.77604 | 0.37486 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.77604 | 0.51386 | 0.62514 |
32 | 0.48614 | 0.26217 | 0.62514 |
33 | 0.73783 | 0.22396 | 0.62514 |
34 | 0.55730 | 0.15280 | 0.70820 |
35 | 0.84720 | 0.40449 | 0.70820 |
36 | 0.59551 | 0.44270 | 0.70820 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.01857 | 0.29913 | 0.46781 |
2 | 0.70087 | 0.71944 | 0.46781 |
3 | 0.28056 | 0.98143 | 0.46781 |
4 | 0.98143 | 0.70087 | 0.53219 |
5 | 0.29913 | 0.28056 | 0.53219 |
6 | 0.71944 | 0.01857 | 0.53219 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.35190 | 0.96580 | 0.80114 |
8 | 0.03420 | 0.38611 | 0.80114 |
9 | 0.61389 | 0.64810 | 0.80114 |
10 | 0.31476 | 0.36754 | 0.86552 |
11 | 0.63246 | 0.94723 | 0.86552 |
12 | 0.05277 | 0.68524 | 0.86552 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.68524 | 0.63246 | 0.13448 |
14 | 0.36754 | 0.05277 | 0.13448 |
15 | 0.94723 | 0.31476 | 0.13448 |
16 | 0.64810 | 0.03420 | 0.19886 |
17 | 0.96580 | 0.61389 | 0.19886 |
18 | 0.38611 | 0.35190 | 0.19886 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.01857 | 0.29913 | 0.96781 |
20 | 0.70087 | 0.71944 | 0.96781 |
21 | 0.28056 | 0.98143 | 0.96781 |
22 | 0.98143 | 0.70087 | 0.03219 |
23 | 0.29913 | 0.28056 | 0.03219 |
24 | 0.71944 | 0.01857 | 0.03219 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.35190 | 0.96580 | 0.30114 |
26 | 0.03420 | 0.38611 | 0.30114 |
27 | 0.61389 | 0.64810 | 0.30114 |
28 | 0.31476 | 0.36754 | 0.36552 |
29 | 0.63246 | 0.94723 | 0.36552 |
30 | 0.05277 | 0.68524 | 0.36552 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.68524 | 0.63246 | 0.63448 |
32 | 0.36754 | 0.05277 | 0.63448 |
33 | 0.94723 | 0.31476 | 0.63448 |
34 | 0.64810 | 0.03420 | 0.69886 |
35 | 0.96580 | 0.61389 | 0.69886 |
36 | 0.38611 | 0.35190 | 0.69886 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.10800 | 0.26790 | 0.10725 |
2 | 0.73210 | 0.84010 | 0.10725 |
3 | 0.15990 | 0.89200 | 0.10725 |
4 | 0.89200 | 0.73210 | 0.89275 |
5 | 0.26790 | 0.15990 | 0.89275 |
6 | 0.84010 | 0.10800 | 0.89275 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.44133 | 0.93457 | 0.44058 |
8 | 0.06543 | 0.50677 | 0.44058 |
9 | 0.49323 | 0.55867 | 0.44058 |
10 | 0.22533 | 0.39877 | 0.22608 |
11 | 0.60123 | 0.82657 | 0.22608 |
12 | 0.17343 | 0.77467 | 0.22608 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.77467 | 0.60123 | 0.77392 |
14 | 0.39877 | 0.17343 | 0.77392 |
15 | 0.82657 | 0.22533 | 0.77392 |
16 | 0.55867 | 0.06543 | 0.55942 |
17 | 0.93457 | 0.49323 | 0.55942 |
18 | 0.50677 | 0.44133 | 0.55942 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.10800 | 0.26790 | 0.60725 |
20 | 0.73210 | 0.84010 | 0.60725 |
21 | 0.15990 | 0.89200 | 0.60725 |
22 | 0.89200 | 0.73210 | 0.39275 |
23 | 0.26790 | 0.15990 | 0.39275 |
24 | 0.84010 | 0.10800 | 0.39275 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.44133 | 0.93457 | 0.94058 |
26 | 0.06543 | 0.50677 | 0.94058 |
27 | 0.49323 | 0.55867 | 0.94058 |
28 | 0.22533 | 0.39877 | 0.72608 |
29 | 0.60123 | 0.82657 | 0.72608 |
30 | 0.17343 | 0.77467 | 0.72608 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.77467 | 0.60123 | 0.27392 |
32 | 0.39877 | 0.17343 | 0.27392 |
33 | 0.82657 | 0.22533 | 0.27392 |
34 | 0.55867 | 0.06543 | 0.05942 |
35 | 0.93457 | 0.49323 | 0.05942 |
36 | 0.50677 | 0.44133 | 0.05942 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.04037 | 0.18173 | 0.28917 |
2 | 0.81827 | 0.85864 | 0.28917 |
3 | 0.14136 | 0.95963 | 0.28917 |
4 | 0.95963 | 0.81827 | 0.71083 |
5 | 0.18173 | 0.14136 | 0.71083 |
6 | 0.85864 | 0.04037 | 0.71083 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.37370 | 0.84840 | 0.62250 |
8 | 0.15160 | 0.52531 | 0.62250 |
9 | 0.47469 | 0.62630 | 0.62250 |
10 | 0.29296 | 0.48494 | 0.04416 |
11 | 0.51506 | 0.80803 | 0.04416 |
12 | 0.19197 | 0.70704 | 0.04416 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.70704 | 0.51506 | 0.95584 |
14 | 0.48494 | 0.19197 | 0.95584 |
15 | 0.80803 | 0.29296 | 0.95584 |
16 | 0.62630 | 0.15160 | 0.37750 |
17 | 0.84840 | 0.47469 | 0.37750 |
18 | 0.52531 | 0.37370 | 0.37750 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.04037 | 0.18173 | 0.78917 |
20 | 0.81827 | 0.85864 | 0.78917 |
21 | 0.14136 | 0.95963 | 0.78917 |
22 | 0.95963 | 0.81827 | 0.21083 |
23 | 0.18173 | 0.14136 | 0.21083 |
24 | 0.85864 | 0.04037 | 0.21083 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.37370 | 0.84840 | 0.12250 |
26 | 0.15160 | 0.52531 | 0.12250 |
27 | 0.47469 | 0.62630 | 0.12250 |
28 | 0.29296 | 0.48494 | 0.54416 |
29 | 0.51506 | 0.80803 | 0.54416 |
30 | 0.19197 | 0.70704 | 0.54416 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.70704 | 0.51506 | 0.45584 |
32 | 0.48494 | 0.19197 | 0.45584 |
33 | 0.80803 | 0.29296 | 0.45584 |
34 | 0.62630 | 0.15160 | 0.87750 |
35 | 0.84840 | 0.47469 | 0.87750 |
36 | 0.52531 | 0.37370 | 0.87750 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.97110 | 0.12230 | 0.27835 |
2 | 0.87770 | 0.84880 | 0.27835 |
3 | 0.15120 | 0.02890 | 0.27835 |
4 | 0.02890 | 0.87770 | 0.72165 |
5 | 0.12230 | 0.15120 | 0.72165 |
6 | 0.84880 | 0.97110 | 0.72165 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.30443 | 0.78897 | 0.61168 |
8 | 0.21103 | 0.51547 | 0.61168 |
9 | 0.48453 | 0.69557 | 0.61168 |
10 | 0.36223 | 0.54437 | 0.05498 |
11 | 0.45563 | 0.81787 | 0.05498 |
12 | 0.18213 | 0.63777 | 0.05498 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.63777 | 0.45563 | 0.94502 |
14 | 0.54437 | 0.18213 | 0.94502 |
15 | 0.81787 | 0.36223 | 0.94502 |
16 | 0.69557 | 0.21103 | 0.38832 |
17 | 0.78897 | 0.48453 | 0.38832 |
18 | 0.51547 | 0.30443 | 0.38832 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.97110 | 0.12230 | 0.77835 |
20 | 0.87770 | 0.84880 | 0.77835 |
21 | 0.15120 | 0.02890 | 0.77835 |
22 | 0.02890 | 0.87770 | 0.22165 |
23 | 0.12230 | 0.15120 | 0.22165 |
24 | 0.84880 | 0.97110 | 0.22165 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.30443 | 0.78897 | 0.11168 |
26 | 0.21103 | 0.51547 | 0.11168 |
27 | 0.48453 | 0.69557 | 0.11168 |
28 | 0.36223 | 0.54437 | 0.55498 |
29 | 0.45563 | 0.81787 | 0.55498 |
30 | 0.18213 | 0.63777 | 0.55498 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.63777 | 0.45563 | 0.44502 |
32 | 0.54437 | 0.18213 | 0.44502 |
33 | 0.81787 | 0.36223 | 0.44502 |
34 | 0.69557 | 0.21103 | 0.88832 |
35 | 0.78897 | 0.48453 | 0.88832 |
36 | 0.51547 | 0.30443 | 0.88832 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.06350 | 0.17430 | 0.34555 |
2 | 0.82570 | 0.88920 | 0.34555 |
3 | 0.11080 | 0.93650 | 0.34555 |
4 | 0.93650 | 0.82570 | 0.65445 |
5 | 0.17430 | 0.11080 | 0.65445 |
6 | 0.88920 | 0.06350 | 0.65445 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.39683 | 0.84097 | 0.67888 |
8 | 0.15903 | 0.55587 | 0.67888 |
9 | 0.44413 | 0.60317 | 0.67888 |
10 | 0.26983 | 0.49237 | 0.98778 |
11 | 0.50763 | 0.77747 | 0.98778 |
12 | 0.22253 | 0.73017 | 0.98778 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.73017 | 0.50763 | 0.01222 |
14 | 0.49237 | 0.22253 | 0.01222 |
15 | 0.77747 | 0.26983 | 0.01222 |
16 | 0.60317 | 0.15903 | 0.32112 |
17 | 0.84097 | 0.44413 | 0.32112 |
18 | 0.55587 | 0.39683 | 0.32112 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.06350 | 0.17430 | 0.84555 |
20 | 0.82570 | 0.88920 | 0.84555 |
21 | 0.11080 | 0.93650 | 0.84555 |
22 | 0.93650 | 0.82570 | 0.15445 |
23 | 0.17430 | 0.11080 | 0.15445 |
24 | 0.88920 | 0.06350 | 0.15445 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.39683 | 0.84097 | 0.17888 |
26 | 0.15903 | 0.55587 | 0.17888 |
27 | 0.44413 | 0.60317 | 0.17888 |
28 | 0.26983 | 0.49237 | 0.48778 |
29 | 0.50763 | 0.77747 | 0.48778 |
30 | 0.22253 | 0.73017 | 0.48778 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.73017 | 0.50763 | 0.51222 |
32 | 0.49237 | 0.22253 | 0.51222 |
33 | 0.77747 | 0.26983 | 0.51222 |
34 | 0.60317 | 0.15903 | 0.82112 |
35 | 0.84097 | 0.44413 | 0.82112 |
36 | 0.55587 | 0.39683 | 0.82112 |
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