Material:

Nb6Co7

ID:

MMD-1436

Explore database:

Compounds with the same formula: Nb6Co7 (1 entry found)
Compounds with the same elements: Nb-Co (8 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

trigonal

Space group number

166

Hermann-Mauguin

R-3m

Hall

-R 3 2"

Point group

-3m

Structure data:

Normalized formula

Nb6Co7

The number of formula units per unit cell

3

The total number of atoms per unit cell

39

The number of inequivalent sites per unit cell

5

Structure search

MP

Lattice parameters:

a (Å)

4.8879

b (Å)

4.8879

c (Å)

26.0850

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

120.000

Volume (Å3)

539.712

Density (g/cm3)

8.953

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-186.0 meV/atom

Formation energy above hull

0 meV, (stable)

Phase diagram:

Phase diagram

Related structures:

Compounds with the same formula: Nb6Co7

1 entry found

Compounds with the same elements: Nb-Co

8 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

5.08 μB/cell

Averaged magnetic moment

0.13 μB/atom

Magnetic polarization, Js = μ0Ms

0.11 T (= 87.5 emu/cm3)
LMTO-GF calculations (details)

Curie temperature, TC

DFT calculations (details)

Magnetic easy axis

Magnetic hardness parameter, κ

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

index species w x y z m (μB) Esoc100 (meV) Esoc001 (meV)
1 Nb 6c 0.000000 0.000000 0.165728 -0.02 . .
2 Nb 6c 0.666667 0.333333 0.167605 -0.02 . .
3 Nb 6c 0.333333 0.666667 0.010908 0.01 . .
4 Nb 6c 0.333333 0.666667 0.322425 0.01 . .
5 Nb 6c 0.333333 0.666667 0.116176 -0.01 . .
6 Nb 6c 0.333333 0.666667 0.217157 -0.01 . .
7 Nb 6c 0.666667 0.333333 0.499062 -0.02 . .
8 Nb 6c 0.333333 0.666667 0.500938 -0.02 . .
9 Nb 6c 0.000000 0.000000 0.344242 0.01 . .
10 Nb 6c 0.000000 0.000000 0.655758 0.01 . .
11 Nb 6c 0.000000 0.000000 0.449510 -0.01 . .
12 Nb 6c 0.000000 0.000000 0.550490 -0.01 . .
13 Nb 6c 0.333333 0.666667 0.832395 -0.02 . .
14 Nb 6c 0.000000 0.000000 0.834272 -0.02 . .
15 Nb 6c 0.666667 0.333333 0.677575 0.01 . .
16 Nb 6c 0.666667 0.333333 0.989092 0.01 . .
17 Nb 6c 0.666667 0.333333 0.782843 -0.01 . .
18 Nb 6c 0.666667 0.333333 0.883824 -0.01 . .
19 Co 18h 0.832191 0.167809 0.257709 0.13 . .
20 Co 18h 0.832191 0.664382 0.257709 0.13 . .
21 Co 18h 0.335618 0.167809 0.257709 0.13 . .
22 Co 18h 0.331049 0.165524 0.075624 0.13 . .
23 Co 18h 0.834476 0.165524 0.075624 0.13 . .
24 Co 18h 0.834476 0.668951 0.075624 0.13 . .
25 Co 18h 0.000000 0.000000 0.000000 1.01 . .
26 Co 18h 0.498858 0.501142 0.591042 0.13 . .
27 Co 18h 0.498858 0.997715 0.591042 0.13 . .
28 Co 18h 0.002285 0.501142 0.591042 0.13 . .
29 Co 18h 0.997715 0.498858 0.408958 0.13 . .
30 Co 18h 0.501142 0.498858 0.408958 0.13 . .
31 Co 18h 0.501142 0.002285 0.408958 0.13 . .
32 Co 18h 0.666667 0.333333 0.333333 1.01 . .
33 Co 18h 0.165524 0.834476 0.924376 0.13 . .
34 Co 18h 0.165524 0.331049 0.924376 0.13 . .
35 Co 18h 0.668951 0.834476 0.924376 0.13 . .
36 Co 18h 0.664382 0.832191 0.742291 0.13 . .
37 Co 3a 0.167809 0.832191 0.742291 0.13 . .
38 Co 3a 0.167809 0.335618 0.742291 0.13 . .
39 Co 3a 0.333333 0.666667 0.666667 1.01 . .
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 Nb 6c 2 Nb 6c 2.82 .
1 Nb 6c 3 Nb 6c 4.93 .
1 Nb 6c 4 Nb 6c 4.97 .
1 Nb 6c 5 Nb 6c 3.10 .
1 Nb 6c 6 Nb 6c 3.12 .
1 Nb 6c 7 Nb 6c 9.14 .
1 Nb 6c 8 Nb 6c 9.19 .
1 Nb 6c 9 Nb 6c 4.66 .
1 Nb 6c 10 Nb 6c 12.78 .
1 Nb 6c 11 Nb 6c 7.40 .
1 Nb 6c 12 Nb 6c 10.04 .
1 Nb 6c 13 Nb 6c 9.14 .
1 Nb 6c 14 Nb 6c 8.65 .
1 Nb 6c 15 Nb 6c 13.04 .
1 Nb 6c 16 Nb 6c 5.40 .
1 Nb 6c 17 Nb 6c 10.38 .
1 Nb 6c 18 Nb 6c 7.88 .
1 Nb 6c 19 Co 18h 2.79 .
1 Nb 6c 20 Co 18h 2.79 .
1 Nb 6c 21 Co 18h 2.79 .
1 Nb 6c 22 Co 18h 2.74 .
1 Nb 6c 23 Co 18h 2.74 .
1 Nb 6c 24 Co 18h 2.74 .
1 Nb 6c 25 Co 18h 4.32 .
1 Nb 6c 26 Co 18h 11.36 .
1 Nb 6c 27 Co 18h 11.36 .
1 Nb 6c 28 Co 18h 11.36 .
1 Nb 6c 29 Co 18h 6.80 .
1 Nb 6c 30 Co 18h 6.80 .
1 Nb 6c 31 Co 18h 6.80 .
1 Nb 6c 32 Co 18h 5.20 .
1 Nb 6c 33 Co 18h 6.45 .
1 Nb 6c 34 Co 18h 6.45 .
1 Nb 6c 35 Co 18h 6.45 .
1 Nb 6c 36 Co 18h 11.14 .
1 Nb 6c 37 Co 3a 11.14 .
1 Nb 6c 38 Co 3a 11.14 .
1 Nb 6c 39 Co 3a 13.32 .
2 Nb 6c 3 Nb 6c 4.97 .
2 Nb 6c 4 Nb 6c 4.93 .
2 Nb 6c 5 Nb 6c 3.12 .
2 Nb 6c 6 Nb 6c 3.10 .
2 Nb 6c 7 Nb 6c 8.65 .
2 Nb 6c 8 Nb 6c 9.14 .
2 Nb 6c 9 Nb 6c 5.40 .
2 Nb 6c 10 Nb 6c 13.04 .
2 Nb 6c 11 Nb 6c 7.88 .
2 Nb 6c 12 Nb 6c 10.38 .
2 Nb 6c 13 Nb 6c 9.19 .
2 Nb 6c 14 Nb 6c 9.14 .
2 Nb 6c 15 Nb 6c 12.78 .
2 Nb 6c 16 Nb 6c 4.66 .
2 Nb 6c 17 Nb 6c 10.04 .
2 Nb 6c 18 Nb 6c 7.40 .
2 Nb 6c 19 Co 18h 2.74 .
2 Nb 6c 20 Co 18h 2.74 .
2 Nb 6c 21 Co 18h 2.74 .
2 Nb 6c 22 Co 18h 2.79 .
2 Nb 6c 23 Co 18h 2.79 .
2 Nb 6c 24 Co 18h 2.79 .
2 Nb 6c 25 Co 18h 5.20 .
2 Nb 6c 26 Co 18h 11.14 .
2 Nb 6c 27 Co 18h 11.14 .
2 Nb 6c 28 Co 18h 11.14 .
2 Nb 6c 29 Co 18h 6.45 .
2 Nb 6c 30 Co 18h 6.45 .
2 Nb 6c 31 Co 18h 6.45 .
2 Nb 6c 32 Co 18h 4.32 .
2 Nb 6c 33 Co 18h 6.80 .
2 Nb 6c 34 Co 18h 6.80 .
2 Nb 6c 35 Co 18h 6.80 .
2 Nb 6c 36 Co 18h 11.36 .
2 Nb 6c 37 Co 3a 11.36 .
2 Nb 6c 38 Co 3a 11.36 .
2 Nb 6c 39 Co 3a 13.32 .
3 Nb 6c 4 Nb 6c 8.13 .
3 Nb 6c 5 Nb 6c 2.75 .
3 Nb 6c 6 Nb 6c 5.38 .
3 Nb 6c 7 Nb 6c 13.04 .
3 Nb 6c 8 Nb 6c 12.78 .
3 Nb 6c 9 Nb 6c 9.14 .
3 Nb 6c 10 Nb 6c 9.68 .
3 Nb 6c 11 Nb 6c 11.78 .
3 Nb 6c 12 Nb 6c 12.34 .
3 Nb 6c 13 Nb 6c 4.66 .
3 Nb 6c 14 Nb 6c 5.40 .
3 Nb 6c 15 Nb 6c 9.14 .
3 Nb 6c 16 Nb 6c 2.88 .
3 Nb 6c 17 Nb 6c 6.58 .
3 Nb 6c 18 Nb 6c 4.35 .
3 Nb 6c 19 Co 18h 6.89 .
3 Nb 6c 20 Co 18h 6.89 .
3 Nb 6c 21 Co 18h 6.89 .
3 Nb 6c 22 Co 18h 2.97 .
3 Nb 6c 23 Co 18h 2.97 .
3 Nb 6c 24 Co 18h 2.97 .
3 Nb 6c 25 Co 18h 2.84 .
3 Nb 6c 26 Co 18h 11.04 .
3 Nb 6c 27 Co 18h 11.04 .
3 Nb 6c 28 Co 18h 11.04 .
3 Nb 6c 29 Co 18h 10.48 .
3 Nb 6c 30 Co 18h 10.48 .
3 Nb 6c 31 Co 18h 10.48 .
3 Nb 6c 32 Co 18h 8.87 .
3 Nb 6c 33 Co 18h 2.67 .
3 Nb 6c 34 Co 18h 2.67 .
3 Nb 6c 35 Co 18h 2.67 .
3 Nb 6c 36 Co 18h 7.15 .
3 Nb 6c 37 Co 3a 7.15 .
3 Nb 6c 38 Co 3a 7.15 .
3 Nb 6c 39 Co 3a 8.98 .
4 Nb 6c 5 Nb 6c 5.38 .
4 Nb 6c 6 Nb 6c 2.75 .
4 Nb 6c 7 Nb 6c 5.40 .
4 Nb 6c 8 Nb 6c 4.66 .
4 Nb 6c 9 Nb 6c 2.88 .
4 Nb 6c 10 Nb 6c 9.14 .
4 Nb 6c 11 Nb 6c 4.35 .
4 Nb 6c 12 Nb 6c 6.58 .
4 Nb 6c 13 Nb 6c 12.78 .
4 Nb 6c 14 Nb 6c 13.04 .
4 Nb 6c 15 Nb 6c 9.68 .
4 Nb 6c 16 Nb 6c 9.14 .
4 Nb 6c 17 Nb 6c 12.34 .
4 Nb 6c 18 Nb 6c 11.78 .
4 Nb 6c 19 Co 18h 2.97 .
4 Nb 6c 20 Co 18h 2.97 .
4 Nb 6c 21 Co 18h 2.97 .
4 Nb 6c 22 Co 18h 6.89 .
4 Nb 6c 23 Co 18h 6.89 .
4 Nb 6c 24 Co 18h 6.89 .
4 Nb 6c 25 Co 18h 8.87 .
4 Nb 6c 26 Co 18h 7.15 .
4 Nb 6c 27 Co 18h 7.15 .
4 Nb 6c 28 Co 18h 7.15 .
4 Nb 6c 29 Co 18h 2.67 .
4 Nb 6c 30 Co 18h 2.67 .
4 Nb 6c 31 Co 18h 2.67 .
4 Nb 6c 32 Co 18h 2.84 .
4 Nb 6c 33 Co 18h 10.48 .
4 Nb 6c 34 Co 18h 10.48 .
4 Nb 6c 35 Co 18h 10.48 .
4 Nb 6c 36 Co 18h 11.04 .
4 Nb 6c 37 Co 3a 11.04 .
4 Nb 6c 38 Co 3a 11.04 .
4 Nb 6c 39 Co 3a 8.98 .
5 Nb 6c 6 Nb 6c 2.63 .
5 Nb 6c 7 Nb 6c 10.38 .
5 Nb 6c 8 Nb 6c 10.04 .
5 Nb 6c 9 Nb 6c 6.58 .
5 Nb 6c 10 Nb 6c 12.34 .
5 Nb 6c 11 Nb 6c 9.14 .
5 Nb 6c 12 Nb 6c 11.68 .
5 Nb 6c 13 Nb 6c 7.40 .
5 Nb 6c 14 Nb 6c 7.88 .
5 Nb 6c 15 Nb 6c 11.78 .
5 Nb 6c 16 Nb 6c 4.35 .
5 Nb 6c 17 Nb 6c 9.14 .
5 Nb 6c 18 Nb 6c 6.69 .
5 Nb 6c 19 Co 18h 4.43 .
5 Nb 6c 20 Co 18h 4.43 .
5 Nb 6c 21 Co 18h 4.43 .
5 Nb 6c 22 Co 18h 2.66 .
5 Nb 6c 23 Co 18h 2.66 .
5 Nb 6c 24 Co 18h 2.66 .
5 Nb 6c 25 Co 18h 4.14 .
5 Nb 6c 26 Co 18h 12.47 .
5 Nb 6c 27 Co 18h 12.47 .
5 Nb 6c 28 Co 18h 12.47 .
5 Nb 6c 29 Co 18h 7.77 .
5 Nb 6c 30 Co 18h 7.77 .
5 Nb 6c 31 Co 18h 7.77 .
5 Nb 6c 32 Co 18h 6.33 .
5 Nb 6c 33 Co 18h 5.20 .
5 Nb 6c 34 Co 18h 5.20 .
5 Nb 6c 35 Co 18h 5.20 .
5 Nb 6c 36 Co 18h 9.85 .
5 Nb 6c 37 Co 3a 9.85 .
5 Nb 6c 38 Co 3a 9.85 .
5 Nb 6c 39 Co 3a 11.73 .
6 Nb 6c 7 Nb 6c 7.88 .
6 Nb 6c 8 Nb 6c 7.40 .
6 Nb 6c 9 Nb 6c 4.35 .
6 Nb 6c 10 Nb 6c 11.78 .
6 Nb 6c 11 Nb 6c 6.69 .
6 Nb 6c 12 Nb 6c 9.14 .
6 Nb 6c 13 Nb 6c 10.04 .
6 Nb 6c 14 Nb 6c 10.38 .
6 Nb 6c 15 Nb 6c 12.34 .
6 Nb 6c 16 Nb 6c 6.58 .
6 Nb 6c 17 Nb 6c 11.68 .
6 Nb 6c 18 Nb 6c 9.14 .
6 Nb 6c 19 Co 18h 2.66 .
6 Nb 6c 20 Co 18h 2.66 .
6 Nb 6c 21 Co 18h 2.66 .
6 Nb 6c 22 Co 18h 4.43 .
6 Nb 6c 23 Co 18h 4.43 .
6 Nb 6c 24 Co 18h 4.43 .
6 Nb 6c 25 Co 18h 6.33 .
6 Nb 6c 26 Co 18h 9.85 .
6 Nb 6c 27 Co 18h 9.85 .
6 Nb 6c 28 Co 18h 9.85 .
6 Nb 6c 29 Co 18h 5.20 .
6 Nb 6c 30 Co 18h 5.20 .
6 Nb 6c 31 Co 18h 5.20 .
6 Nb 6c 32 Co 18h 4.14 .
6 Nb 6c 33 Co 18h 7.77 .
6 Nb 6c 34 Co 18h 7.77 .
6 Nb 6c 35 Co 18h 7.77 .
6 Nb 6c 36 Co 18h 12.47 .
6 Nb 6c 37 Co 3a 12.47 .
6 Nb 6c 38 Co 3a 12.47 .
6 Nb 6c 39 Co 3a 11.73 .
7 Nb 6c 8 Nb 6c 2.82 .
7 Nb 6c 9 Nb 6c 4.93 .
7 Nb 6c 10 Nb 6c 4.97 .
7 Nb 6c 11 Nb 6c 3.10 .
7 Nb 6c 12 Nb 6c 3.12 .
7 Nb 6c 13 Nb 6c 9.14 .
7 Nb 6c 14 Nb 6c 9.19 .
7 Nb 6c 15 Nb 6c 4.66 .
7 Nb 6c 16 Nb 6c 12.78 .
7 Nb 6c 17 Nb 6c 7.40 .
7 Nb 6c 18 Nb 6c 10.04 .
7 Nb 6c 19 Co 18h 6.45 .
7 Nb 6c 20 Co 18h 6.45 .
7 Nb 6c 21 Co 18h 6.45 .
7 Nb 6c 22 Co 18h 11.14 .
7 Nb 6c 23 Co 18h 11.14 .
7 Nb 6c 24 Co 18h 11.14 .
7 Nb 6c 25 Co 18h 13.32 .
7 Nb 6c 26 Co 18h 2.79 .
7 Nb 6c 27 Co 18h 2.79 .
7 Nb 6c 28 Co 18h 2.79 .
7 Nb 6c 29 Co 18h 2.74 .
7 Nb 6c 30 Co 18h 2.74 .
7 Nb 6c 31 Co 18h 2.74 .
7 Nb 6c 32 Co 18h 4.32 .
7 Nb 6c 33 Co 18h 11.36 .
7 Nb 6c 34 Co 18h 11.36 .
7 Nb 6c 35 Co 18h 11.36 .
7 Nb 6c 36 Co 18h 6.80 .
7 Nb 6c 37 Co 3a 6.80 .
7 Nb 6c 38 Co 3a 6.80 .
7 Nb 6c 39 Co 3a 5.20 .
8 Nb 6c 9 Nb 6c 4.97 .
8 Nb 6c 10 Nb 6c 4.93 .
8 Nb 6c 11 Nb 6c 3.12 .
8 Nb 6c 12 Nb 6c 3.10 .
8 Nb 6c 13 Nb 6c 8.65 .
8 Nb 6c 14 Nb 6c 9.14 .
8 Nb 6c 15 Nb 6c 5.40 .
8 Nb 6c 16 Nb 6c 13.04 .
8 Nb 6c 17 Nb 6c 7.88 .
8 Nb 6c 18 Nb 6c 10.38 .
8 Nb 6c 19 Co 18h 6.80 .
8 Nb 6c 20 Co 18h 6.80 .
8 Nb 6c 21 Co 18h 6.80 .
8 Nb 6c 22 Co 18h 11.36 .
8 Nb 6c 23 Co 18h 11.36 .
8 Nb 6c 24 Co 18h 11.36 .
8 Nb 6c 25 Co 18h 13.32 .
8 Nb 6c 26 Co 18h 2.74 .
8 Nb 6c 27 Co 18h 2.74 .
8 Nb 6c 28 Co 18h 2.74 .
8 Nb 6c 29 Co 18h 2.79 .
8 Nb 6c 30 Co 18h 2.79 .
8 Nb 6c 31 Co 18h 2.79 .
8 Nb 6c 32 Co 18h 5.20 .
8 Nb 6c 33 Co 18h 11.14 .
8 Nb 6c 34 Co 18h 11.14 .
8 Nb 6c 35 Co 18h 11.14 .
8 Nb 6c 36 Co 18h 6.45 .
8 Nb 6c 37 Co 3a 6.45 .
8 Nb 6c 38 Co 3a 6.45 .
8 Nb 6c 39 Co 3a 4.32 .
9 Nb 6c 10 Nb 6c 8.13 .
9 Nb 6c 11 Nb 6c 2.75 .
9 Nb 6c 12 Nb 6c 5.38 .
9 Nb 6c 13 Nb 6c 13.04 .
9 Nb 6c 14 Nb 6c 12.78 .
9 Nb 6c 15 Nb 6c 9.14 .
9 Nb 6c 16 Nb 6c 9.68 .
9 Nb 6c 17 Nb 6c 11.78 .
9 Nb 6c 18 Nb 6c 12.34 .
9 Nb 6c 19 Co 18h 2.67 .
9 Nb 6c 20 Co 18h 2.67 .
9 Nb 6c 21 Co 18h 2.67 .
9 Nb 6c 22 Co 18h 7.15 .
9 Nb 6c 23 Co 18h 7.15 .
9 Nb 6c 24 Co 18h 7.15 .
9 Nb 6c 25 Co 18h 8.98 .
9 Nb 6c 26 Co 18h 6.89 .
9 Nb 6c 27 Co 18h 6.89 .
9 Nb 6c 28 Co 18h 6.89 .
9 Nb 6c 29 Co 18h 2.97 .
9 Nb 6c 30 Co 18h 2.97 .
9 Nb 6c 31 Co 18h 2.97 .
9 Nb 6c 32 Co 18h 2.84 .
9 Nb 6c 33 Co 18h 11.04 .
9 Nb 6c 34 Co 18h 11.04 .
9 Nb 6c 35 Co 18h 11.04 .
9 Nb 6c 36 Co 18h 10.48 .
9 Nb 6c 37 Co 3a 10.48 .
9 Nb 6c 38 Co 3a 10.48 .
9 Nb 6c 39 Co 3a 8.87 .
10 Nb 6c 11 Nb 6c 5.38 .
10 Nb 6c 12 Nb 6c 2.75 .
10 Nb 6c 13 Nb 6c 5.40 .
10 Nb 6c 14 Nb 6c 4.66 .
10 Nb 6c 15 Nb 6c 2.88 .
10 Nb 6c 16 Nb 6c 9.14 .
10 Nb 6c 17 Nb 6c 4.35 .
10 Nb 6c 18 Nb 6c 6.58 .
10 Nb 6c 19 Co 18h 10.48 .
10 Nb 6c 20 Co 18h 10.48 .
10 Nb 6c 21 Co 18h 10.48 .
10 Nb 6c 22 Co 18h 11.04 .
10 Nb 6c 23 Co 18h 11.04 .
10 Nb 6c 24 Co 18h 11.04 .
10 Nb 6c 25 Co 18h 8.98 .
10 Nb 6c 26 Co 18h 2.97 .
10 Nb 6c 27 Co 18h 2.97 .
10 Nb 6c 28 Co 18h 2.97 .
10 Nb 6c 29 Co 18h 6.89 .
10 Nb 6c 30 Co 18h 6.89 .
10 Nb 6c 31 Co 18h 6.89 .
10 Nb 6c 32 Co 18h 8.87 .
10 Nb 6c 33 Co 18h 7.15 .
10 Nb 6c 34 Co 18h 7.15 .
10 Nb 6c 35 Co 18h 7.15 .
10 Nb 6c 36 Co 18h 2.67 .
10 Nb 6c 37 Co 3a 2.67 .
10 Nb 6c 38 Co 3a 2.67 .
10 Nb 6c 39 Co 3a 2.84 .
11 Nb 6c 12 Nb 6c 2.63 .
11 Nb 6c 13 Nb 6c 10.38 .
11 Nb 6c 14 Nb 6c 10.04 .
11 Nb 6c 15 Nb 6c 6.58 .
11 Nb 6c 16 Nb 6c 12.34 .
11 Nb 6c 17 Nb 6c 9.14 .
11 Nb 6c 18 Nb 6c 11.68 .
11 Nb 6c 19 Co 18h 5.20 .
11 Nb 6c 20 Co 18h 5.20 .
11 Nb 6c 21 Co 18h 5.20 .
11 Nb 6c 22 Co 18h 9.85 .
11 Nb 6c 23 Co 18h 9.85 .
11 Nb 6c 24 Co 18h 9.85 .
11 Nb 6c 25 Co 18h 11.73 .
11 Nb 6c 26 Co 18h 4.43 .
11 Nb 6c 27 Co 18h 4.43 .
11 Nb 6c 28 Co 18h 4.43 .
11 Nb 6c 29 Co 18h 2.66 .
11 Nb 6c 30 Co 18h 2.66 .
11 Nb 6c 31 Co 18h 2.66 .
11 Nb 6c 32 Co 18h 4.14 .
11 Nb 6c 33 Co 18h 12.47 .
11 Nb 6c 34 Co 18h 12.47 .
11 Nb 6c 35 Co 18h 12.47 .
11 Nb 6c 36 Co 18h 7.77 .
11 Nb 6c 37 Co 3a 7.77 .
11 Nb 6c 38 Co 3a 7.77 .
11 Nb 6c 39 Co 3a 6.33 .
12 Nb 6c 13 Nb 6c 7.88 .
12 Nb 6c 14 Nb 6c 7.40 .
12 Nb 6c 15 Nb 6c 4.35 .
12 Nb 6c 16 Nb 6c 11.78 .
12 Nb 6c 17 Nb 6c 6.69 .
12 Nb 6c 18 Nb 6c 9.14 .
12 Nb 6c 19 Co 18h 7.77 .
12 Nb 6c 20 Co 18h 7.77 .
12 Nb 6c 21 Co 18h 7.77 .
12 Nb 6c 22 Co 18h 12.47 .
12 Nb 6c 23 Co 18h 12.47 .
12 Nb 6c 24 Co 18h 12.47 .
12 Nb 6c 25 Co 18h 11.73 .
12 Nb 6c 26 Co 18h 2.66 .
12 Nb 6c 27 Co 18h 2.66 .
12 Nb 6c 28 Co 18h 2.66 .
12 Nb 6c 29 Co 18h 4.43 .
12 Nb 6c 30 Co 18h 4.43 .
12 Nb 6c 31 Co 18h 4.43 .
12 Nb 6c 32 Co 18h 6.33 .
12 Nb 6c 33 Co 18h 9.85 .
12 Nb 6c 34 Co 18h 9.85 .
12 Nb 6c 35 Co 18h 9.85 .
12 Nb 6c 36 Co 18h 5.20 .
12 Nb 6c 37 Co 3a 5.20 .
12 Nb 6c 38 Co 3a 5.20 .
12 Nb 6c 39 Co 3a 4.14 .
13 Nb 6c 14 Nb 6c 2.82 .
13 Nb 6c 15 Nb 6c 4.93 .
13 Nb 6c 16 Nb 6c 4.97 .
13 Nb 6c 17 Nb 6c 3.10 .
13 Nb 6c 18 Nb 6c 3.12 .
13 Nb 6c 19 Co 18h 11.36 .
13 Nb 6c 20 Co 18h 11.36 .
13 Nb 6c 21 Co 18h 11.36 .
13 Nb 6c 22 Co 18h 6.80 .
13 Nb 6c 23 Co 18h 6.80 .
13 Nb 6c 24 Co 18h 6.80 .
13 Nb 6c 25 Co 18h 5.20 .
13 Nb 6c 26 Co 18h 6.45 .
13 Nb 6c 27 Co 18h 6.45 .
13 Nb 6c 28 Co 18h 6.45 .
13 Nb 6c 29 Co 18h 11.14 .
13 Nb 6c 30 Co 18h 11.14 .
13 Nb 6c 31 Co 18h 11.14 .
13 Nb 6c 32 Co 18h 13.32 .
13 Nb 6c 33 Co 18h 2.79 .
13 Nb 6c 34 Co 18h 2.79 .
13 Nb 6c 35 Co 18h 2.79 .
13 Nb 6c 36 Co 18h 2.74 .
13 Nb 6c 37 Co 3a 2.74 .
13 Nb 6c 38 Co 3a 2.74 .
13 Nb 6c 39 Co 3a 4.32 .
14 Nb 6c 15 Nb 6c 4.97 .
14 Nb 6c 16 Nb 6c 4.93 .
14 Nb 6c 17 Nb 6c 3.12 .
14 Nb 6c 18 Nb 6c 3.10 .
14 Nb 6c 19 Co 18h 11.14 .
14 Nb 6c 20 Co 18h 11.14 .
14 Nb 6c 21 Co 18h 11.14 .
14 Nb 6c 22 Co 18h 6.45 .
14 Nb 6c 23 Co 18h 6.45 .
14 Nb 6c 24 Co 18h 6.45 .
14 Nb 6c 25 Co 18h 4.32 .
14 Nb 6c 26 Co 18h 6.80 .
14 Nb 6c 27 Co 18h 6.80 .
14 Nb 6c 28 Co 18h 6.80 .
14 Nb 6c 29 Co 18h 11.36 .
14 Nb 6c 30 Co 18h 11.36 .
14 Nb 6c 31 Co 18h 11.36 .
14 Nb 6c 32 Co 18h 13.32 .
14 Nb 6c 33 Co 18h 2.74 .
14 Nb 6c 34 Co 18h 2.74 .
14 Nb 6c 35 Co 18h 2.74 .
14 Nb 6c 36 Co 18h 2.79 .
14 Nb 6c 37 Co 3a 2.79 .
14 Nb 6c 38 Co 3a 2.79 .
14 Nb 6c 39 Co 3a 5.20 .
15 Nb 6c 16 Nb 6c 8.13 .
15 Nb 6c 17 Nb 6c 2.75 .
15 Nb 6c 18 Nb 6c 5.38 .
15 Nb 6c 19 Co 18h 11.04 .
15 Nb 6c 20 Co 18h 11.04 .
15 Nb 6c 21 Co 18h 11.04 .
15 Nb 6c 22 Co 18h 10.48 .
15 Nb 6c 23 Co 18h 10.48 .
15 Nb 6c 24 Co 18h 10.48 .
15 Nb 6c 25 Co 18h 8.87 .
15 Nb 6c 26 Co 18h 2.67 .
15 Nb 6c 27 Co 18h 2.67 .
15 Nb 6c 28 Co 18h 2.67 .
15 Nb 6c 29 Co 18h 7.15 .
15 Nb 6c 30 Co 18h 7.15 .
15 Nb 6c 31 Co 18h 7.15 .
15 Nb 6c 32 Co 18h 8.98 .
15 Nb 6c 33 Co 18h 6.89 .
15 Nb 6c 34 Co 18h 6.89 .
15 Nb 6c 35 Co 18h 6.89 .
15 Nb 6c 36 Co 18h 2.97 .
15 Nb 6c 37 Co 3a 2.97 .
15 Nb 6c 38 Co 3a 2.97 .
15 Nb 6c 39 Co 3a 2.84 .
16 Nb 6c 17 Nb 6c 5.38 .
16 Nb 6c 18 Nb 6c 2.75 .
16 Nb 6c 19 Co 18h 7.15 .
16 Nb 6c 20 Co 18h 7.15 .
16 Nb 6c 21 Co 18h 7.15 .
16 Nb 6c 22 Co 18h 2.67 .
16 Nb 6c 23 Co 18h 2.67 .
16 Nb 6c 24 Co 18h 2.67 .
16 Nb 6c 25 Co 18h 2.84 .
16 Nb 6c 26 Co 18h 10.48 .
16 Nb 6c 27 Co 18h 10.48 .
16 Nb 6c 28 Co 18h 10.48 .
16 Nb 6c 29 Co 18h 11.04 .
16 Nb 6c 30 Co 18h 11.04 .
16 Nb 6c 31 Co 18h 11.04 .
16 Nb 6c 32 Co 18h 8.98 .
16 Nb 6c 33 Co 18h 2.97 .
16 Nb 6c 34 Co 18h 2.97 .
16 Nb 6c 35 Co 18h 2.97 .
16 Nb 6c 36 Co 18h 6.89 .
16 Nb 6c 37 Co 3a 6.89 .
16 Nb 6c 38 Co 3a 6.89 .
16 Nb 6c 39 Co 3a 8.87 .
17 Nb 6c 18 Nb 6c 2.63 .
17 Nb 6c 19 Co 18h 12.47 .
17 Nb 6c 20 Co 18h 12.47 .
17 Nb 6c 21 Co 18h 12.47 .
17 Nb 6c 22 Co 18h 7.77 .
17 Nb 6c 23 Co 18h 7.77 .
17 Nb 6c 24 Co 18h 7.77 .
17 Nb 6c 25 Co 18h 6.33 .
17 Nb 6c 26 Co 18h 5.20 .
17 Nb 6c 27 Co 18h 5.20 .
17 Nb 6c 28 Co 18h 5.20 .
17 Nb 6c 29 Co 18h 9.85 .
17 Nb 6c 30 Co 18h 9.85 .
17 Nb 6c 31 Co 18h 9.85 .
17 Nb 6c 32 Co 18h 11.73 .
17 Nb 6c 33 Co 18h 4.43 .
17 Nb 6c 34 Co 18h 4.43 .
17 Nb 6c 35 Co 18h 4.43 .
17 Nb 6c 36 Co 18h 2.66 .
17 Nb 6c 37 Co 3a 2.66 .
17 Nb 6c 38 Co 3a 2.66 .
17 Nb 6c 39 Co 3a 4.14 .
18 Nb 6c 19 Co 18h 9.85 .
18 Nb 6c 20 Co 18h 9.85 .
18 Nb 6c 21 Co 18h 9.85 .
18 Nb 6c 22 Co 18h 5.20 .
18 Nb 6c 23 Co 18h 5.20 .
18 Nb 6c 24 Co 18h 5.20 .
18 Nb 6c 25 Co 18h 4.14 .
18 Nb 6c 26 Co 18h 7.77 .
18 Nb 6c 27 Co 18h 7.77 .
18 Nb 6c 28 Co 18h 7.77 .
18 Nb 6c 29 Co 18h 12.47 .
18 Nb 6c 30 Co 18h 12.47 .
18 Nb 6c 31 Co 18h 12.47 .
18 Nb 6c 32 Co 18h 11.73 .
18 Nb 6c 33 Co 18h 2.66 .
18 Nb 6c 34 Co 18h 2.66 .
18 Nb 6c 35 Co 18h 2.66 .
18 Nb 6c 36 Co 18h 4.43 .
18 Nb 6c 37 Co 3a 4.43 .
18 Nb 6c 38 Co 3a 4.43 .
18 Nb 6c 39 Co 3a 6.33 .
19 Co 18h 20 Co 18h 2.43 .
19 Co 18h 21 Co 18h 2.43 .
19 Co 18h 22 Co 18h 5.34 .
19 Co 18h 23 Co 18h 4.75 .
19 Co 18h 24 Co 18h 5.34 .
19 Co 18h 25 Co 18h 6.87 .
19 Co 18h 26 Co 18h 9.14 .
19 Co 18h 27 Co 18h 8.81 .
19 Co 18h 28 Co 18h 8.81 .
19 Co 18h 29 Co 18h 4.19 .
19 Co 18h 30 Co 18h 4.84 .
19 Co 18h 31 Co 18h 4.19 .
19 Co 18h 32 Co 18h 2.42 .
19 Co 18h 33 Co 18h 9.14 .
19 Co 18h 34 Co 18h 8.81 .
19 Co 18h 35 Co 18h 8.81 .
19 Co 18h 36 Co 18h 12.72 .
19 Co 18h 37 Co 3a 12.95 .
19 Co 18h 38 Co 3a 12.72 .
19 Co 18h 39 Co 3a 10.94 .
20 Co 18h 21 Co 18h 2.43 .
20 Co 18h 22 Co 18h 5.34 .
20 Co 18h 23 Co 18h 5.34 .
20 Co 18h 24 Co 18h 4.75 .
20 Co 18h 25 Co 18h 6.87 .
20 Co 18h 26 Co 18h 8.81 .
20 Co 18h 27 Co 18h 9.14 .
20 Co 18h 28 Co 18h 8.81 .
20 Co 18h 29 Co 18h 4.19 .
20 Co 18h 30 Co 18h 4.19 .
20 Co 18h 31 Co 18h 4.84 .
20 Co 18h 32 Co 18h 2.42 .
20 Co 18h 33 Co 18h 8.81 .
20 Co 18h 34 Co 18h 9.14 .
20 Co 18h 35 Co 18h 8.81 .
20 Co 18h 36 Co 18h 12.72 .
20 Co 18h 37 Co 3a 12.72 .
20 Co 18h 38 Co 3a 12.95 .
20 Co 18h 39 Co 3a 10.94 .
21 Co 18h 22 Co 18h 4.75 .
21 Co 18h 23 Co 18h 5.34 .
21 Co 18h 24 Co 18h 5.34 .
21 Co 18h 25 Co 18h 6.87 .
21 Co 18h 26 Co 18h 8.81 .
21 Co 18h 27 Co 18h 8.81 .
21 Co 18h 28 Co 18h 9.14 .
21 Co 18h 29 Co 18h 4.84 .
21 Co 18h 30 Co 18h 4.19 .
21 Co 18h 31 Co 18h 4.19 .
21 Co 18h 32 Co 18h 2.42 .
21 Co 18h 33 Co 18h 8.81 .
21 Co 18h 34 Co 18h 8.81 .
21 Co 18h 35 Co 18h 9.14 .
21 Co 18h 36 Co 18h 12.95 .
21 Co 18h 37 Co 3a 12.72 .
21 Co 18h 38 Co 3a 12.72 .
21 Co 18h 39 Co 3a 10.94 .
22 Co 18h 23 Co 18h 2.43 .
22 Co 18h 24 Co 18h 2.43 .
22 Co 18h 25 Co 18h 2.42 .
22 Co 18h 26 Co 18h 12.72 .
22 Co 18h 27 Co 18h 12.72 .
22 Co 18h 28 Co 18h 12.95 .
22 Co 18h 29 Co 18h 9.14 .
22 Co 18h 30 Co 18h 8.81 .
22 Co 18h 31 Co 18h 8.81 .
22 Co 18h 32 Co 18h 6.87 .
22 Co 18h 33 Co 18h 4.19 .
22 Co 18h 34 Co 18h 4.19 .
22 Co 18h 35 Co 18h 4.84 .
22 Co 18h 36 Co 18h 9.14 .
22 Co 18h 37 Co 3a 8.81 .
22 Co 18h 38 Co 3a 8.81 .
22 Co 18h 39 Co 3a 10.94 .
23 Co 18h 24 Co 18h 2.43 .
23 Co 18h 25 Co 18h 2.42 .
23 Co 18h 26 Co 18h 12.95 .
23 Co 18h 27 Co 18h 12.72 .
23 Co 18h 28 Co 18h 12.72 .
23 Co 18h 29 Co 18h 8.81 .
23 Co 18h 30 Co 18h 9.14 .
23 Co 18h 31 Co 18h 8.81 .
23 Co 18h 32 Co 18h 6.87 .
23 Co 18h 33 Co 18h 4.84 .
23 Co 18h 34 Co 18h 4.19 .
23 Co 18h 35 Co 18h 4.19 .
23 Co 18h 36 Co 18h 8.81 .
23 Co 18h 37 Co 3a 9.14 .
23 Co 18h 38 Co 3a 8.81 .
23 Co 18h 39 Co 3a 10.94 .
24 Co 18h 25 Co 18h 2.42 .
24 Co 18h 26 Co 18h 12.72 .
24 Co 18h 27 Co 18h 12.95 .
24 Co 18h 28 Co 18h 12.72 .
24 Co 18h 29 Co 18h 8.81 .
24 Co 18h 30 Co 18h 8.81 .
24 Co 18h 31 Co 18h 9.14 .
24 Co 18h 32 Co 18h 6.87 .
24 Co 18h 33 Co 18h 4.19 .
24 Co 18h 34 Co 18h 4.84 .
24 Co 18h 35 Co 18h 4.19 .
24 Co 18h 36 Co 18h 8.81 .
24 Co 18h 37 Co 3a 8.81 .
24 Co 18h 38 Co 3a 9.14 .
24 Co 18h 39 Co 3a 10.94 .
25 Co 18h 26 Co 18h 10.94 .
25 Co 18h 27 Co 18h 10.94 .
25 Co 18h 28 Co 18h 10.94 .
25 Co 18h 29 Co 18h 10.94 .
25 Co 18h 30 Co 18h 10.94 .
25 Co 18h 31 Co 18h 10.94 .
25 Co 18h 32 Co 18h 9.14 .
25 Co 18h 33 Co 18h 2.42 .
25 Co 18h 34 Co 18h 2.42 .
25 Co 18h 35 Co 18h 2.42 .
25 Co 18h 36 Co 18h 6.87 .
25 Co 18h 37 Co 3a 6.87 .
25 Co 18h 38 Co 3a 6.87 .
25 Co 18h 39 Co 3a 9.14 .
26 Co 18h 27 Co 18h 2.43 .
26 Co 18h 28 Co 18h 2.43 .
26 Co 18h 29 Co 18h 5.34 .
26 Co 18h 30 Co 18h 4.75 .
26 Co 18h 31 Co 18h 5.34 .
26 Co 18h 32 Co 18h 6.87 .
26 Co 18h 33 Co 18h 9.14 .
26 Co 18h 34 Co 18h 8.81 .
26 Co 18h 35 Co 18h 8.81 .
26 Co 18h 36 Co 18h 4.19 .
26 Co 18h 37 Co 3a 4.84 .
26 Co 18h 38 Co 3a 4.19 .
26 Co 18h 39 Co 3a 2.42 .
27 Co 18h 28 Co 18h 2.43 .
27 Co 18h 29 Co 18h 5.34 .
27 Co 18h 30 Co 18h 5.34 .
27 Co 18h 31 Co 18h 4.75 .
27 Co 18h 32 Co 18h 6.87 .
27 Co 18h 33 Co 18h 8.81 .
27 Co 18h 34 Co 18h 9.14 .
27 Co 18h 35 Co 18h 8.81 .
27 Co 18h 36 Co 18h 4.19 .
27 Co 18h 37 Co 3a 4.19 .
27 Co 18h 38 Co 3a 4.84 .
27 Co 18h 39 Co 3a 2.42 .
28 Co 18h 29 Co 18h 4.75 .
28 Co 18h 30 Co 18h 5.34 .
28 Co 18h 31 Co 18h 5.34 .
28 Co 18h 32 Co 18h 6.87 .
28 Co 18h 33 Co 18h 8.81 .
28 Co 18h 34 Co 18h 8.81 .
28 Co 18h 35 Co 18h 9.14 .
28 Co 18h 36 Co 18h 4.84 .
28 Co 18h 37 Co 3a 4.19 .
28 Co 18h 38 Co 3a 4.19 .
28 Co 18h 39 Co 3a 2.42 .
29 Co 18h 30 Co 18h 2.43 .
29 Co 18h 31 Co 18h 2.43 .
29 Co 18h 32 Co 18h 2.42 .
29 Co 18h 33 Co 18h 12.72 .
29 Co 18h 34 Co 18h 12.72 .
29 Co 18h 35 Co 18h 12.95 .
29 Co 18h 36 Co 18h 9.14 .
29 Co 18h 37 Co 3a 8.81 .
29 Co 18h 38 Co 3a 8.81 .
29 Co 18h 39 Co 3a 6.87 .
30 Co 18h 31 Co 18h 2.43 .
30 Co 18h 32 Co 18h 2.42 .
30 Co 18h 33 Co 18h 12.95 .
30 Co 18h 34 Co 18h 12.72 .
30 Co 18h 35 Co 18h 12.72 .
30 Co 18h 36 Co 18h 8.81 .
30 Co 18h 37 Co 3a 9.14 .
30 Co 18h 38 Co 3a 8.81 .
30 Co 18h 39 Co 3a 6.87 .
31 Co 18h 32 Co 18h 2.42 .
31 Co 18h 33 Co 18h 12.72 .
31 Co 18h 34 Co 18h 12.95 .
31 Co 18h 35 Co 18h 12.72 .
31 Co 18h 36 Co 18h 8.81 .
31 Co 18h 37 Co 3a 8.81 .
31 Co 18h 38 Co 3a 9.14 .
31 Co 18h 39 Co 3a 6.87 .
32 Co 18h 33 Co 18h 10.94 .
32 Co 18h 34 Co 18h 10.94 .
32 Co 18h 35 Co 18h 10.94 .
32 Co 18h 36 Co 18h 10.94 .
32 Co 18h 37 Co 3a 10.94 .
32 Co 18h 38 Co 3a 10.94 .
32 Co 18h 39 Co 3a 9.14 .
33 Co 18h 34 Co 18h 2.43 .
33 Co 18h 35 Co 18h 2.43 .
33 Co 18h 36 Co 18h 5.34 .
33 Co 18h 37 Co 3a 4.75 .
33 Co 18h 38 Co 3a 5.34 .
33 Co 18h 39 Co 3a 6.87 .
34 Co 18h 35 Co 18h 2.43 .
34 Co 18h 36 Co 18h 5.34 .
34 Co 18h 37 Co 3a 5.34 .
34 Co 18h 38 Co 3a 4.75 .
34 Co 18h 39 Co 3a 6.87 .
35 Co 18h 36 Co 18h 4.75 .
35 Co 18h 37 Co 3a 5.34 .
35 Co 18h 38 Co 3a 5.34 .
35 Co 18h 39 Co 3a 6.87 .
36 Co 18h 37 Co 3a 2.43 .
36 Co 18h 38 Co 3a 2.43 .
36 Co 18h 39 Co 3a 2.42 .
37 Co 3a 38 Co 3a 2.43 .
37 Co 3a 39 Co 3a 2.42 .
38 Co 3a 39 Co 3a 2.42 .
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:


Diagram is not available for this entry.

Individual exchange parameters:


Diagram is not available for this entry.

Methods:

DFT calculations

  • exchange-correlation energy functional: GGA-PBE
  • pseudopotential type: PAW
  • cutoff energy: 65.0 Ry
  • k-point grid: (kx, ky, kz) = (None, None, None) 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-7250
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