Material:

Y2Co17

ID:

MMD-1423

Explore database:

Compounds with the same formula: Y2Co17 (1 entry found)
Compounds with the same elements: Y-Co (18 entries found)
Navigation:
Space group | Lattice parameters | Thermodynamic properties | Phase diagram | Magnetic properties | Atomic positions and site-specific magnetic data | Pair-wise magnetic data | Methods | References

Space group:

Crystal system

hexagonal

Space group number

194

Hermann-Mauguin

P6_3/mmc

Hall

-P 6c 2c

Point group

6/mmm

Structure data:

Normalized formula

Y2Co17

The number of formula units per unit cell

2

The total number of atoms per unit cell

38

The number of inequivalent sites per unit cell

6

Structure search

MP

Lattice parameters:

a (Å)

8.3222

b (Å)

8.3222

c (Å)

8.1441

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

120.000

Volume (Å3)

488.485

Density (g/cm3)

8.020

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-94.0 meV/atom

Formation energy above hull

0 meV, (stable)

Phase diagram:

Phase diagram

Related structures:

Compounds with the same formula: Y2Co17

1 entry found

Compounds with the same elements: Y-Co

18 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

51.82 μB/cell

Averaged magnetic moment

1.36 μB/atom

Magnetic polarization, Js = μ0Ms

1.24 T (= 986.8 emu/cm3)
LMTO-GF calculations (details)

Curie temperature, TC

DFT calculations (details)

Magnetic anisotropy constant, Ka-c

0.12 MJ/m3 (= 0.36 meV/cell)

Magnetic easy axis

c

Magnetic hardness parameter, κ

0.31

Atomic positions (fractional coordinates) and site-specific magnetic data:

index species w x y z m (μB) Esoc100 (meV) Esoc001 (meV)
1 Y 2d 0.333333 0.666667 0.750000 -0.19 . .
2 Y 2d 0.000000 0.000000 0.250000 -0.19 . .
3 Y 2b 0.666667 0.333333 0.250000 -0.19 . .
4 Y 2b 0.000000 0.000000 0.750000 -0.19 . .
5 Co 12j 0.624837 0.954163 0.250000 1.64 . .
6 Co 12j 0.670674 0.624837 0.750000 1.64 . .
7 Co 12j 0.500000 0.000000 0.000000 1.62 . .
8 Co 12j 0.666667 0.333333 0.607785 1.72 . .
9 Co 12j 0.329326 0.375163 0.250000 1.64 . .
10 Co 12j 0.166821 0.333642 0.518719 1.64 . .
11 Co 12j 0.333642 0.166821 0.018719 1.64 . .
12 Co 12j 0.833179 0.666358 0.481281 1.64 . .
13 Co 12j 0.045837 0.375163 0.250000 1.64 . .
14 Co 12j 0.329326 0.954163 0.250000 1.64 . .
15 Co 12j 0.045837 0.670674 0.250000 1.64 . .
16 Co 12j 0.833179 0.166821 0.018719 1.64 . .
17 Co 6g 0.333333 0.666667 0.392215 1.72 . .
18 Co 6g 0.624837 0.670674 0.250000 1.64 . .
19 Co 6g 0.666358 0.833179 0.981281 1.64 . .
20 Co 6g 0.166821 0.833179 0.981281 1.64 . .
21 Co 6g 0.166821 0.833179 0.518719 1.64 . .
22 Co 6g 0.666358 0.833179 0.518719 1.64 . .
23 Co 4f 0.333333 0.666667 0.107785 1.72 . .
24 Co 4f 0.500000 0.000000 0.500000 1.62 . .
25 Co 4f 0.375163 0.329326 0.750000 1.64 . .
26 Co 4f 0.500000 0.500000 0.000000 1.62 . .
27 Co 12k 0.670674 0.045837 0.750000 1.64 . .
28 Co 12k 0.375163 0.045837 0.750000 1.64 . .
29 Co 12k 0.166821 0.333642 0.981281 1.64 . .
30 Co 12k 0.666667 0.333333 0.892215 1.72 . .
31 Co 12k 0.833179 0.166821 0.481281 1.64 . .
32 Co 12k 0.833179 0.666358 0.018719 1.64 . .
33 Co 12k 0.000000 0.500000 0.000000 1.62 . .
34 Co 12k 0.954163 0.329326 0.750000 1.64 . .
35 Co 12k 0.954163 0.624837 0.750000 1.64 . .
36 Co 12k 0.000000 0.500000 0.500000 1.62 . .
37 Co 12k 0.333642 0.166821 0.481281 1.64 . .
38 Co 12k 0.500000 0.500000 0.500000 1.62 . .
w: site multiplicity (the number of equivalent positions) and Wyckoff letter (a label for site symmetry)
m: local magnetic moment
Esoc100 (001): Spin-orbit coupling energy for the magnetization oriented along the crystallographic a (c) axis
(Individual Esoc values are temporarily not available while we perform maintenance.)
Terms and conditions

Site-resolved magnetic moments:

Local magnetic moments

Pair-wise magnetic data:

site i site j distance (Å) Jij (meV)
1 Y 2d 2 Y 2d 6.30 .
1 Y 2d 3 Y 2b 6.30 .
1 Y 2d 4 Y 2b 4.80 .
1 Y 2d 5 Co 12j 4.73 .
1 Y 2d 6 Co 12j 3.00 .
1 Y 2d 7 Co 12j 3.15 .
1 Y 2d 8 Co 12j 4.94 .
1 Y 2d 9 Co 12j 4.73 .
1 Y 2d 10 Co 12j 3.05 .
1 Y 2d 11 Co 12j 4.70 .
1 Y 2d 12 Co 12j 4.70 .
1 Y 2d 13 Co 12j 4.73 .
1 Y 2d 14 Co 12j 4.73 .
1 Y 2d 15 Co 12j 4.73 .
1 Y 2d 16 Co 12j 4.70 .
1 Y 2d 17 Co 6g 2.91 .
1 Y 2d 18 Co 6g 4.73 .
1 Y 2d 19 Co 6g 3.05 .
1 Y 2d 20 Co 6g 3.05 .
1 Y 2d 21 Co 6g 3.05 .
1 Y 2d 22 Co 6g 3.05 .
1 Y 2d 23 Co 4f 2.91 .
1 Y 2d 24 Co 4f 3.15 .
1 Y 2d 25 Co 4f 3.00 .
1 Y 2d 26 Co 4f 3.15 .
1 Y 2d 27 Co 12k 3.00 .
1 Y 2d 28 Co 12k 3.00 .
1 Y 2d 29 Co 12k 3.05 .
1 Y 2d 30 Co 12k 4.94 .
1 Y 2d 31 Co 12k 4.70 .
1 Y 2d 32 Co 12k 4.70 .
1 Y 2d 33 Co 12k 3.15 .
1 Y 2d 34 Co 12k 3.00 .
1 Y 2d 35 Co 12k 3.00 .
1 Y 2d 36 Co 12k 3.15 .
1 Y 2d 37 Co 12k 4.70 .
1 Y 2d 38 Co 12k 3.15 .
2 Y 2d 3 Y 2b 4.80 .
2 Y 2d 4 Y 2b 4.07 .
2 Y 2d 5 Co 12j 2.95 .
2 Y 2d 6 Co 12j 5.03 .
2 Y 2d 7 Co 12j 4.63 .
2 Y 2d 8 Co 12j 5.62 .
2 Y 2d 9 Co 12j 2.95 .
2 Y 2d 10 Co 12j 3.25 .
2 Y 2d 11 Co 12j 3.05 .
2 Y 2d 12 Co 12j 3.05 .
2 Y 2d 13 Co 12j 2.95 .
2 Y 2d 14 Co 12j 2.95 .
2 Y 2d 15 Co 12j 2.95 .
2 Y 2d 16 Co 12j 3.05 .
2 Y 2d 17 Co 6g 4.94 .
2 Y 2d 18 Co 6g 2.95 .
2 Y 2d 19 Co 6g 3.25 .
2 Y 2d 20 Co 6g 3.25 .
2 Y 2d 21 Co 6g 3.25 .
2 Y 2d 22 Co 6g 3.25 .
2 Y 2d 23 Co 4f 4.94 .
2 Y 2d 24 Co 4f 4.63 .
2 Y 2d 25 Co 4f 5.03 .
2 Y 2d 26 Co 4f 4.63 .
2 Y 2d 27 Co 12k 5.03 .
2 Y 2d 28 Co 12k 5.03 .
2 Y 2d 29 Co 12k 3.25 .
2 Y 2d 30 Co 12k 5.62 .
2 Y 2d 31 Co 12k 3.05 .
2 Y 2d 32 Co 12k 3.05 .
2 Y 2d 33 Co 12k 4.63 .
2 Y 2d 34 Co 12k 5.03 .
2 Y 2d 35 Co 12k 5.03 .
2 Y 2d 36 Co 12k 4.63 .
2 Y 2d 37 Co 12k 3.05 .
2 Y 2d 38 Co 12k 4.63 .
3 Y 2b 4 Y 2b 6.30 .
3 Y 2b 5 Co 12j 3.00 .
3 Y 2b 6 Co 12j 4.73 .
3 Y 2b 7 Co 12j 3.15 .
3 Y 2b 8 Co 12j 2.91 .
3 Y 2b 9 Co 12j 3.00 .
3 Y 2b 10 Co 12j 4.70 .
3 Y 2b 11 Co 12j 3.05 .
3 Y 2b 12 Co 12j 3.05 .
3 Y 2b 13 Co 12j 3.00 .
3 Y 2b 14 Co 12j 3.00 .
3 Y 2b 15 Co 12j 3.00 .
3 Y 2b 16 Co 12j 3.05 .
3 Y 2b 17 Co 6g 4.94 .
3 Y 2b 18 Co 6g 3.00 .
3 Y 2b 19 Co 6g 4.70 .
3 Y 2b 20 Co 6g 4.70 .
3 Y 2b 21 Co 6g 4.70 .
3 Y 2b 22 Co 6g 4.70 .
3 Y 2b 23 Co 4f 4.94 .
3 Y 2b 24 Co 4f 3.15 .
3 Y 2b 25 Co 4f 4.73 .
3 Y 2b 26 Co 4f 3.15 .
3 Y 2b 27 Co 12k 4.73 .
3 Y 2b 28 Co 12k 4.73 .
3 Y 2b 29 Co 12k 4.70 .
3 Y 2b 30 Co 12k 2.91 .
3 Y 2b 31 Co 12k 3.05 .
3 Y 2b 32 Co 12k 3.05 .
3 Y 2b 33 Co 12k 3.15 .
3 Y 2b 34 Co 12k 4.73 .
3 Y 2b 35 Co 12k 4.73 .
3 Y 2b 36 Co 12k 3.15 .
3 Y 2b 37 Co 12k 3.05 .
3 Y 2b 38 Co 12k 3.15 .
4 Y 2b 5 Co 12j 5.03 .
4 Y 2b 6 Co 12j 2.95 .
4 Y 2b 7 Co 12j 4.63 .
4 Y 2b 8 Co 12j 4.94 .
4 Y 2b 9 Co 12j 5.03 .
4 Y 2b 10 Co 12j 3.05 .
4 Y 2b 11 Co 12j 3.25 .
4 Y 2b 12 Co 12j 3.25 .
4 Y 2b 13 Co 12j 5.03 .
4 Y 2b 14 Co 12j 5.03 .
4 Y 2b 15 Co 12j 5.03 .
4 Y 2b 16 Co 12j 3.25 .
4 Y 2b 17 Co 6g 5.62 .
4 Y 2b 18 Co 6g 5.03 .
4 Y 2b 19 Co 6g 3.05 .
4 Y 2b 20 Co 6g 3.05 .
4 Y 2b 21 Co 6g 3.05 .
4 Y 2b 22 Co 6g 3.05 .
4 Y 2b 23 Co 4f 5.62 .
4 Y 2b 24 Co 4f 4.63 .
4 Y 2b 25 Co 4f 2.95 .
4 Y 2b 26 Co 4f 4.63 .
4 Y 2b 27 Co 12k 2.95 .
4 Y 2b 28 Co 12k 2.95 .
4 Y 2b 29 Co 12k 3.05 .
4 Y 2b 30 Co 12k 4.94 .
4 Y 2b 31 Co 12k 3.25 .
4 Y 2b 32 Co 12k 3.25 .
4 Y 2b 33 Co 12k 4.63 .
4 Y 2b 34 Co 12k 2.95 .
4 Y 2b 35 Co 12k 2.95 .
4 Y 2b 36 Co 12k 4.63 .
4 Y 2b 37 Co 12k 3.25 .
4 Y 2b 38 Co 12k 4.63 .
5 Co 12j 6 Co 12j 5.03 .
5 Co 12j 7 Co 12j 2.40 .
5 Co 12j 8 Co 12j 4.18 .
5 Co 12j 9 Co 12j 4.17 .
5 Co 12j 10 Co 12j 4.57 .
5 Co 12j 11 Co 12j 4.10 .
5 Co 12j 12 Co 12j 4.06 .
5 Co 12j 13 Co 12j 3.50 .
5 Co 12j 14 Co 12j 2.46 .
5 Co 12j 15 Co 12j 4.17 .
5 Co 12j 16 Co 12j 2.57 .
5 Co 12j 17 Co 6g 2.67 .
5 Co 12j 18 Co 6g 2.36 .
5 Co 12j 19 Co 6g 2.50 .
5 Co 12j 20 Co 6g 4.06 .
5 Co 12j 21 Co 6g 4.06 .
5 Co 12j 22 Co 6g 2.50 .
5 Co 12j 23 Co 4f 2.67 .
5 Co 12j 24 Co 4f 2.40 .
5 Co 12j 25 Co 4f 6.09 .
5 Co 12j 26 Co 4f 3.95 .
5 Co 12j 27 Co 12k 4.13 .
5 Co 12j 28 Co 12k 4.80 .
5 Co 12j 29 Co 12k 4.57 .
5 Co 12j 30 Co 12k 4.18 .
5 Co 12j 31 Co 12k 2.57 .
5 Co 12j 32 Co 12k 4.06 .
5 Co 12j 33 Co 12k 4.51 .
5 Co 12j 34 Co 12k 5.03 .
5 Co 12j 35 Co 12k 6.25 .
5 Co 12j 36 Co 12k 4.51 .
5 Co 12j 37 Co 12k 4.10 .
5 Co 12j 38 Co 12k 3.95 .
6 Co 12j 7 Co 12j 4.51 .
6 Co 12j 8 Co 12j 2.67 .
6 Co 12j 9 Co 12j 4.80 .
6 Co 12j 10 Co 12j 4.10 .
6 Co 12j 11 Co 12j 4.06 .
6 Co 12j 12 Co 12j 2.50 .
6 Co 12j 13 Co 12j 6.09 .
6 Co 12j 14 Co 12j 6.25 .
6 Co 12j 15 Co 12j 5.03 .
6 Co 12j 16 Co 12j 4.57 .
6 Co 12j 17 Co 6g 4.18 .
6 Co 12j 18 Co 6g 4.13 .
6 Co 12j 19 Co 6g 2.57 .
6 Co 12j 20 Co 6g 4.06 .
6 Co 12j 21 Co 6g 4.06 .
6 Co 12j 22 Co 6g 2.57 .
6 Co 12j 23 Co 4f 4.18 .
6 Co 12j 24 Co 4f 4.51 .
6 Co 12j 25 Co 4f 2.46 .
6 Co 12j 26 Co 4f 2.40 .
6 Co 12j 27 Co 12k 3.50 .
6 Co 12j 28 Co 12k 4.17 .
6 Co 12j 29 Co 12k 4.10 .
6 Co 12j 30 Co 12k 2.67 .
6 Co 12j 31 Co 12k 4.57 .
6 Co 12j 32 Co 12k 2.50 .
6 Co 12j 33 Co 12k 3.95 .
6 Co 12j 34 Co 12k 4.17 .
6 Co 12j 35 Co 12k 2.36 .
6 Co 12j 36 Co 12k 3.95 .
6 Co 12j 37 Co 12k 4.06 .
6 Co 12j 38 Co 12k 2.40 .
7 Co 12j 8 Co 12j 4.00 .
7 Co 12j 9 Co 12j 4.51 .
7 Co 12j 10 Co 12j 6.20 .
7 Co 12j 11 Co 12j 2.41 .
7 Co 12j 12 Co 12j 6.20 .
7 Co 12j 13 Co 12j 4.51 .
7 Co 12j 14 Co 12j 2.40 .
7 Co 12j 15 Co 12j 3.95 .
7 Co 12j 16 Co 12j 2.41 .
7 Co 12j 17 Co 6g 4.00 .
7 Co 12j 18 Co 6g 3.95 .
7 Co 12j 19 Co 6g 2.41 .
7 Co 12j 20 Co 6g 2.41 .
7 Co 12j 21 Co 6g 4.60 .
7 Co 12j 22 Co 6g 4.60 .
7 Co 12j 23 Co 4f 2.56 .
7 Co 12j 24 Co 4f 4.07 .
7 Co 12j 25 Co 4f 3.95 .
7 Co 12j 26 Co 4f 4.16 .
7 Co 12j 27 Co 12k 2.40 .
7 Co 12j 28 Co 12k 2.40 .
7 Co 12j 29 Co 12k 4.81 .
7 Co 12j 30 Co 12k 2.56 .
7 Co 12j 31 Co 12k 4.60 .
7 Co 12j 32 Co 12k 4.81 .
7 Co 12j 33 Co 12k 4.16 .
7 Co 12j 34 Co 12k 3.95 .
7 Co 12j 35 Co 12k 4.51 .
7 Co 12j 36 Co 12k 5.82 .
7 Co 12j 37 Co 12k 4.60 .
7 Co 12j 38 Co 12k 5.82 .
8 Co 12j 9 Co 12j 4.18 .
8 Co 12j 10 Co 12j 4.22 .
8 Co 12j 11 Co 12j 4.12 .
8 Co 12j 12 Co 12j 2.61 .
8 Co 12j 13 Co 12j 4.18 .
8 Co 12j 14 Co 12j 4.18 .
8 Co 12j 15 Co 12j 4.18 .
8 Co 12j 16 Co 12j 4.12 .
8 Co 12j 17 Co 6g 5.12 .
8 Co 12j 18 Co 6g 4.18 .
8 Co 12j 19 Co 6g 5.15 .
8 Co 12j 20 Co 6g 5.15 .
8 Co 12j 21 Co 6g 4.22 .
8 Co 12j 22 Co 6g 4.22 .
8 Co 12j 23 Co 4f 6.30 .
8 Co 12j 24 Co 4f 2.56 .
8 Co 12j 25 Co 4f 2.67 .
8 Co 12j 26 Co 4f 4.00 .
8 Co 12j 27 Co 12k 2.67 .
8 Co 12j 28 Co 12k 2.67 .
8 Co 12j 29 Co 12k 5.15 .
8 Co 12j 30 Co 12k 2.32 .
8 Co 12j 31 Co 12k 2.61 .
8 Co 12j 32 Co 12k 4.12 .
8 Co 12j 33 Co 12k 4.00 .
8 Co 12j 34 Co 12k 2.67 .
8 Co 12j 35 Co 12k 2.67 .
8 Co 12j 36 Co 12k 2.56 .
8 Co 12j 37 Co 12k 2.61 .
8 Co 12j 38 Co 12k 2.56 .
9 Co 12j 10 Co 12j 2.50 .
9 Co 12j 11 Co 12j 2.57 .
9 Co 12j 12 Co 12j 4.10 .
9 Co 12j 13 Co 12j 2.36 .
9 Co 12j 14 Co 12j 3.50 .
9 Co 12j 15 Co 12j 4.17 .
9 Co 12j 16 Co 12j 4.06 .
9 Co 12j 17 Co 6g 2.67 .
9 Co 12j 18 Co 6g 2.46 .
9 Co 12j 19 Co 6g 4.06 .
9 Co 12j 20 Co 6g 4.57 .
9 Co 12j 21 Co 6g 4.57 .
9 Co 12j 22 Co 6g 4.06 .
9 Co 12j 23 Co 4f 2.67 .
9 Co 12j 24 Co 4f 4.51 .
9 Co 12j 25 Co 4f 4.13 .
9 Co 12j 26 Co 4f 2.40 .
9 Co 12j 27 Co 12k 6.25 .
9 Co 12j 28 Co 12k 5.03 .
9 Co 12j 29 Co 12k 2.50 .
9 Co 12j 30 Co 12k 4.18 .
9 Co 12j 31 Co 12k 4.06 .
9 Co 12j 32 Co 12k 4.10 .
9 Co 12j 33 Co 12k 3.95 .
9 Co 12j 34 Co 12k 5.03 .
9 Co 12j 35 Co 12k 6.09 .
9 Co 12j 36 Co 12k 3.95 .
9 Co 12j 37 Co 12k 2.57 .
9 Co 12j 38 Co 12k 2.40 .
10 Co 12j 11 Co 12j 4.73 .
10 Co 12j 12 Co 12j 4.81 .
10 Co 12j 13 Co 12j 2.50 .
10 Co 12j 14 Co 12j 4.57 .
10 Co 12j 15 Co 12j 4.06 .
10 Co 12j 16 Co 12j 4.73 .
10 Co 12j 17 Co 6g 2.61 .
10 Co 12j 18 Co 6g 4.06 .
10 Co 12j 19 Co 6g 5.61 .
10 Co 12j 20 Co 6g 5.61 .
10 Co 12j 21 Co 6g 4.16 .
10 Co 12j 22 Co 6g 4.16 .
10 Co 12j 23 Co 4f 4.12 .
10 Co 12j 24 Co 4f 4.81 .
10 Co 12j 25 Co 4f 2.57 .
10 Co 12j 26 Co 4f 4.60 .
10 Co 12j 27 Co 12k 4.06 .
10 Co 12j 28 Co 12k 4.06 .
10 Co 12j 29 Co 12k 3.77 .
10 Co 12j 30 Co 12k 5.15 .
10 Co 12j 31 Co 12k 2.42 .
10 Co 12j 32 Co 12k 6.30 .
10 Co 12j 33 Co 12k 4.60 .
10 Co 12j 34 Co 12k 2.57 .
10 Co 12j 35 Co 12k 4.10 .
10 Co 12j 36 Co 12k 2.41 .
10 Co 12j 37 Co 12k 2.42 .
10 Co 12j 38 Co 12k 2.41 .
11 Co 12j 12 Co 12j 5.61 .
11 Co 12j 13 Co 12j 4.06 .
11 Co 12j 14 Co 12j 2.57 .
11 Co 12j 15 Co 12j 4.06 .
11 Co 12j 16 Co 12j 4.16 .
11 Co 12j 17 Co 6g 5.15 .
11 Co 12j 18 Co 6g 4.10 .
11 Co 12j 19 Co 6g 4.81 .
11 Co 12j 20 Co 6g 2.42 .
11 Co 12j 21 Co 6g 4.73 .
11 Co 12j 22 Co 6g 6.30 .
11 Co 12j 23 Co 4f 4.22 .
11 Co 12j 24 Co 4f 4.60 .
11 Co 12j 25 Co 4f 2.50 .
11 Co 12j 26 Co 4f 2.41 .
11 Co 12j 27 Co 12k 4.06 .
11 Co 12j 28 Co 12k 2.50 .
11 Co 12j 29 Co 12k 2.42 .
11 Co 12j 30 Co 12k 2.61 .
11 Co 12j 31 Co 12k 5.61 .
11 Co 12j 32 Co 12k 4.16 .
11 Co 12j 33 Co 12k 4.81 .
11 Co 12j 34 Co 12k 4.57 .
11 Co 12j 35 Co 12k 4.57 .
11 Co 12j 36 Co 12k 6.20 .
11 Co 12j 37 Co 12k 3.77 .
11 Co 12j 38 Co 12k 4.60 .
12 Co 12j 13 Co 12j 4.10 .
12 Co 12j 14 Co 12j 4.06 .
12 Co 12j 15 Co 12j 2.57 .
12 Co 12j 16 Co 12j 5.61 .
12 Co 12j 17 Co 6g 4.22 .
12 Co 12j 18 Co 6g 2.57 .
12 Co 12j 19 Co 6g 4.73 .
12 Co 12j 20 Co 6g 4.73 .
12 Co 12j 21 Co 6g 2.42 .
12 Co 12j 22 Co 6g 2.42 .
12 Co 12j 23 Co 4f 5.15 .
12 Co 12j 24 Co 4f 4.81 .
12 Co 12j 25 Co 4f 4.06 .
12 Co 12j 26 Co 4f 4.60 .
12 Co 12j 27 Co 12k 4.57 .
12 Co 12j 28 Co 12k 4.57 .
12 Co 12j 29 Co 12k 6.30 .
12 Co 12j 30 Co 12k 4.12 .
12 Co 12j 31 Co 12k 4.16 .
12 Co 12j 32 Co 12k 3.77 .
12 Co 12j 33 Co 12k 4.60 .
12 Co 12j 34 Co 12k 4.06 .
12 Co 12j 35 Co 12k 2.50 .
12 Co 12j 36 Co 12k 2.41 .
12 Co 12j 37 Co 12k 4.16 .
12 Co 12j 38 Co 12k 2.41 .
13 Co 12j 14 Co 12j 4.17 .
13 Co 12j 15 Co 12j 2.46 .
13 Co 12j 16 Co 12j 2.57 .
13 Co 12j 17 Co 6g 2.67 .
13 Co 12j 18 Co 6g 4.17 .
13 Co 12j 19 Co 6g 4.57 .
13 Co 12j 20 Co 6g 4.06 .
13 Co 12j 21 Co 6g 4.06 .
13 Co 12j 22 Co 6g 4.57 .
13 Co 12j 23 Co 4f 2.67 .
13 Co 12j 24 Co 4f 4.51 .
13 Co 12j 25 Co 4f 5.03 .
13 Co 12j 26 Co 4f 3.95 .
13 Co 12j 27 Co 12k 5.03 .
13 Co 12j 28 Co 12k 6.25 .
13 Co 12j 29 Co 12k 2.50 .
13 Co 12j 30 Co 12k 4.18 .
13 Co 12j 31 Co 12k 2.57 .
13 Co 12j 32 Co 12k 4.10 .
13 Co 12j 33 Co 12k 2.40 .
13 Co 12j 34 Co 12k 4.13 .
13 Co 12j 35 Co 12k 4.80 .
13 Co 12j 36 Co 12k 2.40 .
13 Co 12j 37 Co 12k 4.06 .
13 Co 12j 38 Co 12k 3.95 .
14 Co 12j 15 Co 12j 2.36 .
14 Co 12j 16 Co 12j 4.10 .
14 Co 12j 17 Co 6g 2.67 .
14 Co 12j 18 Co 6g 4.17 .
14 Co 12j 19 Co 6g 4.06 .
14 Co 12j 20 Co 6g 2.50 .
14 Co 12j 21 Co 6g 2.50 .
14 Co 12j 22 Co 6g 4.06 .
14 Co 12j 23 Co 4f 2.67 .
14 Co 12j 24 Co 4f 2.40 .
14 Co 12j 25 Co 4f 5.03 .
14 Co 12j 26 Co 4f 4.51 .
14 Co 12j 27 Co 12k 4.80 .
14 Co 12j 28 Co 12k 4.13 .
14 Co 12j 29 Co 12k 4.57 .
14 Co 12j 30 Co 12k 4.18 .
14 Co 12j 31 Co 12k 4.10 .
14 Co 12j 32 Co 12k 4.06 .
14 Co 12j 33 Co 12k 3.95 .
14 Co 12j 34 Co 12k 6.09 .
14 Co 12j 35 Co 12k 5.03 .
14 Co 12j 36 Co 12k 3.95 .
14 Co 12j 37 Co 12k 2.57 .
14 Co 12j 38 Co 12k 4.51 .
15 Co 12j 16 Co 12j 4.10 .
15 Co 12j 17 Co 6g 2.67 .
15 Co 12j 18 Co 6g 3.50 .
15 Co 12j 19 Co 6g 4.57 .
15 Co 12j 20 Co 6g 2.50 .
15 Co 12j 21 Co 6g 2.50 .
15 Co 12j 22 Co 6g 4.57 .
15 Co 12j 23 Co 4f 2.67 .
15 Co 12j 24 Co 4f 3.95 .
15 Co 12j 25 Co 4f 6.25 .
15 Co 12j 26 Co 4f 4.51 .
15 Co 12j 27 Co 12k 6.09 .
15 Co 12j 28 Co 12k 5.03 .
15 Co 12j 29 Co 12k 4.06 .
15 Co 12j 30 Co 12k 4.18 .
15 Co 12j 31 Co 12k 4.10 .
15 Co 12j 32 Co 12k 2.57 .
15 Co 12j 33 Co 12k 2.40 .
15 Co 12j 34 Co 12k 4.80 .
15 Co 12j 35 Co 12k 4.13 .
15 Co 12j 36 Co 12k 2.40 .
15 Co 12j 37 Co 12k 4.06 .
15 Co 12j 38 Co 12k 4.51 .
16 Co 12j 17 Co 6g 5.15 .
16 Co 12j 18 Co 6g 4.06 .
16 Co 12j 19 Co 6g 2.42 .
16 Co 12j 20 Co 6g 4.81 .
16 Co 12j 21 Co 6g 6.30 .
16 Co 12j 22 Co 6g 4.73 .
16 Co 12j 23 Co 4f 4.22 .
16 Co 12j 24 Co 4f 4.60 .
16 Co 12j 25 Co 4f 4.57 .
16 Co 12j 26 Co 4f 4.81 .
16 Co 12j 27 Co 12k 2.50 .
16 Co 12j 28 Co 12k 4.06 .
16 Co 12j 29 Co 12k 2.42 .
16 Co 12j 30 Co 12k 2.61 .
16 Co 12j 31 Co 12k 3.77 .
16 Co 12j 32 Co 12k 4.16 .
16 Co 12j 33 Co 12k 2.41 .
16 Co 12j 34 Co 12k 2.50 .
16 Co 12j 35 Co 12k 4.06 .
16 Co 12j 36 Co 12k 4.60 .
16 Co 12j 37 Co 12k 5.61 .
16 Co 12j 38 Co 12k 6.20 .
17 Co 6g 18 Co 6g 2.67 .
17 Co 6g 19 Co 6g 4.12 .
17 Co 6g 20 Co 6g 4.12 .
17 Co 6g 21 Co 6g 2.61 .
17 Co 6g 22 Co 6g 2.61 .
17 Co 6g 23 Co 4f 2.32 .
17 Co 6g 24 Co 4f 2.56 .
17 Co 6g 25 Co 4f 4.18 .
17 Co 6g 26 Co 4f 4.00 .
17 Co 6g 27 Co 12k 4.18 .
17 Co 6g 28 Co 12k 4.18 .
17 Co 6g 29 Co 12k 4.12 .
17 Co 6g 30 Co 12k 6.30 .
17 Co 6g 31 Co 12k 4.22 .
17 Co 6g 32 Co 12k 5.15 .
17 Co 6g 33 Co 12k 4.00 .
17 Co 6g 34 Co 12k 4.18 .
17 Co 6g 35 Co 12k 4.18 .
17 Co 6g 36 Co 12k 2.56 .
17 Co 6g 37 Co 12k 4.22 .
17 Co 6g 38 Co 12k 2.56 .
18 Co 6g 19 Co 6g 2.50 .
18 Co 6g 20 Co 6g 4.57 .
18 Co 6g 21 Co 6g 4.57 .
18 Co 6g 22 Co 6g 2.50 .
18 Co 6g 23 Co 4f 2.67 .
18 Co 6g 24 Co 4f 3.95 .
18 Co 6g 25 Co 4f 4.80 .
18 Co 6g 26 Co 4f 2.40 .
18 Co 6g 27 Co 12k 5.03 .
18 Co 6g 28 Co 12k 6.09 .
18 Co 6g 29 Co 12k 4.06 .
18 Co 6g 30 Co 12k 4.18 .
18 Co 6g 31 Co 12k 4.06 .
18 Co 6g 32 Co 12k 2.57 .
18 Co 6g 33 Co 12k 4.51 .
18 Co 6g 34 Co 12k 6.25 .
18 Co 6g 35 Co 12k 5.03 .
18 Co 6g 36 Co 12k 4.51 .
18 Co 6g 37 Co 12k 4.10 .
18 Co 6g 38 Co 12k 2.40 .
19 Co 6g 20 Co 6g 4.16 .
19 Co 6g 21 Co 6g 5.61 .
19 Co 6g 22 Co 6g 3.77 .
19 Co 6g 23 Co 4f 2.61 .
19 Co 6g 24 Co 4f 4.60 .
19 Co 6g 25 Co 4f 4.10 .
19 Co 6g 26 Co 4f 2.41 .
19 Co 6g 27 Co 12k 2.57 .
19 Co 6g 28 Co 12k 4.10 .
19 Co 6g 29 Co 12k 4.16 .
19 Co 6g 30 Co 12k 4.22 .
19 Co 6g 31 Co 12k 4.73 .
19 Co 6g 32 Co 12k 2.42 .
19 Co 6g 33 Co 12k 4.81 .
19 Co 6g 34 Co 12k 4.06 .
19 Co 6g 35 Co 12k 4.06 .
19 Co 6g 36 Co 12k 6.20 .
19 Co 6g 37 Co 12k 6.30 .
19 Co 6g 38 Co 12k 4.60 .
20 Co 6g 21 Co 6g 3.77 .
20 Co 6g 22 Co 6g 5.61 .
20 Co 6g 23 Co 4f 2.61 .
20 Co 6g 24 Co 4f 4.60 .
20 Co 6g 25 Co 4f 4.06 .
20 Co 6g 26 Co 4f 4.81 .
20 Co 6g 27 Co 12k 4.10 .
20 Co 6g 28 Co 12k 2.57 .
20 Co 6g 29 Co 12k 4.16 .
20 Co 6g 30 Co 12k 4.22 .
20 Co 6g 31 Co 12k 6.30 .
20 Co 6g 32 Co 12k 2.42 .
20 Co 6g 33 Co 12k 2.41 .
20 Co 6g 34 Co 12k 4.10 .
20 Co 6g 35 Co 12k 2.57 .
20 Co 6g 36 Co 12k 4.60 .
20 Co 6g 37 Co 12k 4.73 .
20 Co 6g 38 Co 12k 6.20 .
21 Co 6g 22 Co 6g 4.16 .
21 Co 6g 23 Co 4f 4.12 .
21 Co 6g 24 Co 4f 2.41 .
21 Co 6g 25 Co 4f 4.06 .
21 Co 6g 26 Co 4f 6.20 .
21 Co 6g 27 Co 12k 4.10 .
21 Co 6g 28 Co 12k 2.57 .
21 Co 6g 29 Co 12k 5.61 .
21 Co 6g 30 Co 12k 5.15 .
21 Co 6g 31 Co 12k 4.81 .
21 Co 6g 32 Co 12k 4.73 .
21 Co 6g 33 Co 12k 4.60 .
21 Co 6g 34 Co 12k 4.10 .
21 Co 6g 35 Co 12k 2.57 .
21 Co 6g 36 Co 12k 2.41 .
21 Co 6g 37 Co 12k 2.42 .
21 Co 6g 38 Co 12k 4.81 .
22 Co 6g 23 Co 4f 4.12 .
22 Co 6g 24 Co 4f 2.41 .
22 Co 6g 25 Co 4f 4.10 .
22 Co 6g 26 Co 4f 4.60 .
22 Co 6g 27 Co 12k 2.57 .
22 Co 6g 28 Co 12k 4.10 .
22 Co 6g 29 Co 12k 5.61 .
22 Co 6g 30 Co 12k 5.15 .
22 Co 6g 31 Co 12k 2.42 .
22 Co 6g 32 Co 12k 4.73 .
22 Co 6g 33 Co 12k 6.20 .
22 Co 6g 34 Co 12k 4.06 .
22 Co 6g 35 Co 12k 4.06 .
22 Co 6g 36 Co 12k 4.81 .
22 Co 6g 37 Co 12k 4.81 .
22 Co 6g 38 Co 12k 2.41 .
23 Co 4f 24 Co 4f 4.00 .
23 Co 4f 25 Co 4f 4.18 .
23 Co 4f 26 Co 4f 2.56 .
23 Co 4f 27 Co 12k 4.18 .
23 Co 4f 28 Co 12k 4.18 .
23 Co 4f 29 Co 12k 2.61 .
23 Co 4f 30 Co 12k 5.12 .
23 Co 4f 31 Co 12k 5.15 .
23 Co 4f 32 Co 12k 4.22 .
23 Co 4f 33 Co 12k 2.56 .
23 Co 4f 34 Co 12k 4.18 .
23 Co 4f 35 Co 12k 4.18 .
23 Co 4f 36 Co 12k 4.00 .
23 Co 4f 37 Co 12k 5.15 .
23 Co 4f 38 Co 12k 4.00 .
24 Co 4f 25 Co 4f 3.95 .
24 Co 4f 26 Co 4f 5.82 .
24 Co 4f 27 Co 12k 2.40 .
24 Co 4f 28 Co 12k 2.40 .
24 Co 4f 29 Co 12k 6.20 .
24 Co 4f 30 Co 12k 4.00 .
24 Co 4f 31 Co 12k 2.41 .
24 Co 4f 32 Co 12k 6.20 .
24 Co 4f 33 Co 12k 5.82 .
24 Co 4f 34 Co 12k 3.95 .
24 Co 4f 35 Co 12k 4.51 .
24 Co 4f 36 Co 12k 4.16 .
24 Co 4f 37 Co 12k 2.41 .
24 Co 4f 38 Co 12k 4.16 .
25 Co 4f 26 Co 4f 2.40 .
25 Co 4f 27 Co 12k 4.17 .
25 Co 4f 28 Co 12k 2.36 .
25 Co 4f 29 Co 12k 2.57 .
25 Co 4f 30 Co 12k 2.67 .
25 Co 4f 31 Co 12k 4.57 .
25 Co 4f 32 Co 12k 4.06 .
25 Co 4f 33 Co 12k 4.51 .
25 Co 4f 34 Co 12k 3.50 .
25 Co 4f 35 Co 12k 4.17 .
25 Co 4f 36 Co 12k 4.51 .
25 Co 4f 37 Co 12k 2.50 .
25 Co 4f 38 Co 12k 2.40 .
26 Co 4f 27 Co 12k 4.51 .
26 Co 4f 28 Co 12k 3.95 .
26 Co 4f 29 Co 12k 2.41 .
26 Co 4f 30 Co 12k 2.56 .
26 Co 4f 31 Co 12k 6.20 .
26 Co 4f 32 Co 12k 2.41 .
26 Co 4f 33 Co 12k 4.16 .
26 Co 4f 34 Co 12k 4.51 .
26 Co 4f 35 Co 12k 3.95 .
26 Co 4f 36 Co 12k 5.82 .
26 Co 4f 37 Co 12k 4.60 .
26 Co 4f 38 Co 12k 4.07 .
27 Co 12k 28 Co 12k 2.46 .
27 Co 12k 29 Co 12k 4.06 .
27 Co 12k 30 Co 12k 2.67 .
27 Co 12k 31 Co 12k 2.50 .
27 Co 12k 32 Co 12k 4.57 .
27 Co 12k 33 Co 12k 3.95 .
27 Co 12k 34 Co 12k 2.36 .
27 Co 12k 35 Co 12k 4.17 .
27 Co 12k 36 Co 12k 3.95 .
27 Co 12k 37 Co 12k 4.06 .
27 Co 12k 38 Co 12k 4.51 .
28 Co 12k 29 Co 12k 4.06 .
28 Co 12k 30 Co 12k 2.67 .
28 Co 12k 31 Co 12k 4.06 .
28 Co 12k 32 Co 12k 4.57 .
28 Co 12k 33 Co 12k 4.51 .
28 Co 12k 34 Co 12k 4.17 .
28 Co 12k 35 Co 12k 3.50 .
28 Co 12k 36 Co 12k 4.51 .
28 Co 12k 37 Co 12k 2.50 .
28 Co 12k 38 Co 12k 3.95 .
29 Co 12k 30 Co 12k 4.22 .
29 Co 12k 31 Co 12k 4.73 .
29 Co 12k 32 Co 12k 4.81 .
29 Co 12k 33 Co 12k 2.41 .
29 Co 12k 34 Co 12k 2.57 .
29 Co 12k 35 Co 12k 4.10 .
29 Co 12k 36 Co 12k 4.60 .
29 Co 12k 37 Co 12k 4.73 .
29 Co 12k 38 Co 12k 4.60 .
30 Co 12k 31 Co 12k 4.12 .
30 Co 12k 32 Co 12k 2.61 .
30 Co 12k 33 Co 12k 2.56 .
30 Co 12k 34 Co 12k 2.67 .
30 Co 12k 35 Co 12k 2.67 .
30 Co 12k 36 Co 12k 4.00 .
30 Co 12k 37 Co 12k 4.12 .
30 Co 12k 38 Co 12k 4.00 .
31 Co 12k 32 Co 12k 5.61 .
31 Co 12k 33 Co 12k 4.60 .
31 Co 12k 34 Co 12k 2.50 .
31 Co 12k 35 Co 12k 4.06 .
31 Co 12k 36 Co 12k 2.41 .
31 Co 12k 37 Co 12k 4.16 .
31 Co 12k 38 Co 12k 4.81 .
32 Co 12k 33 Co 12k 2.41 .
32 Co 12k 34 Co 12k 4.06 .
32 Co 12k 35 Co 12k 2.50 .
32 Co 12k 36 Co 12k 4.60 .
32 Co 12k 37 Co 12k 5.61 .
32 Co 12k 38 Co 12k 4.60 .
33 Co 12k 34 Co 12k 2.40 .
33 Co 12k 35 Co 12k 2.40 .
33 Co 12k 36 Co 12k 4.07 .
33 Co 12k 37 Co 12k 6.20 .
33 Co 12k 38 Co 12k 5.82 .
34 Co 12k 35 Co 12k 2.46 .
34 Co 12k 36 Co 12k 2.40 .
34 Co 12k 37 Co 12k 4.57 .
34 Co 12k 38 Co 12k 4.51 .
35 Co 12k 36 Co 12k 2.40 .
35 Co 12k 37 Co 12k 4.57 .
35 Co 12k 38 Co 12k 3.95 .
36 Co 12k 37 Co 12k 4.81 .
36 Co 12k 38 Co 12k 4.16 .
37 Co 12k 38 Co 12k 2.41 .
Jij: magnetic exchange parameter between site i and j (Individual Jij values are temporarily not available while we perform maintenance.)
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Terms and conditions

Pair-resolved magnetic exchange parameters:

Exchange coupling parameters

Individual exchange parameters:

Exchange coupling parameters

Methods:

DFT calculations

  • exchange-correlation energy functional: GGA-PBE
  • pseudopotential type: PAW
  • cutoff energy: 65.0 Ry
  • k-point grid: (kx, ky, kz) = (8, 8, 8) for magnetic anisotropy calculations
  • package: QE (v6.3)

LMTO-GF calculations

  • k-point grid: (kx, ky, kz) =
  • energy mesh: 41 points on an elliptical contour
  • package: Questaal (v7)

References:

References

Materials Project: mp-570718
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