Material:

Co7Mo6

ID:

MMD-1421

Explore database:

Compounds with the same formula: Co7Mo6 (1 entry found)
Compounds with the same elements: Co-Mo (7 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

Co7Mo6

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)

4.7497

b (Å)

4.7497

c (Å)

25.5319

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

120.000

Volume (Å3)

498.833

Density (g/cm3)

9.868

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-39.1 meV/atom

Formation energy above hull

5.9 meV/atom

Phase diagram:

Phase diagram

Related structures:

Compounds with the same formula: Co7Mo6

1 entry found

Compounds with the same elements: Co-Mo

7 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

6.14 μB/cell

Averaged magnetic moment

0.16 μB/atom

Magnetic polarization, Js = μ0Ms

0.14 T (= 111.4 emu/cm3)
LMTO-GF calculations (details)

Curie temperature, TC

DFT calculations (details)

Magnetic anisotropy constant, Ka-c

-0.60 MJ/m3 (= -1.87 meV/cell)

Magnetic easy axis

ab plane

Magnetic hardness parameter, κ

6.14

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

index species w x y z m (μB) Esoc100 (meV) Esoc001 (meV)
1 Co 18h 0.833629 0.667259 0.256316 0.15 . .
2 Co 18h 0.833037 0.166963 0.077017 0.15 . .
3 Co 18h 0.000000 0.000000 0.000000 1.17 . .
4 Co 18h 0.833629 0.166371 0.256316 0.15 . .
5 Co 18h 0.833037 0.666075 0.077017 0.15 . .
6 Co 18h 0.333925 0.166963 0.077017 0.15 . .
7 Co 18h 0.332741 0.166371 0.256316 0.15 . .
8 Co 18h 0.500296 0.000592 0.589650 0.15 . .
9 Co 18h 0.499704 0.500296 0.410350 0.15 . .
10 Co 18h 0.666667 0.333333 0.333333 1.17 . .
11 Co 18h 0.500296 0.499704 0.589650 0.15 . .
12 Co 18h 0.499704 0.999408 0.410350 0.15 . .
13 Co 18h 0.000592 0.500296 0.410350 0.15 . .
14 Co 18h 0.999408 0.499704 0.589650 0.15 . .
15 Co 18h 0.166963 0.333925 0.922983 0.15 . .
16 Co 18h 0.166371 0.833629 0.743684 0.15 . .
17 Co 18h 0.333333 0.666667 0.666667 1.17 . .
18 Co 18h 0.166963 0.833037 0.922983 0.15 . .
19 Co 3a 0.166371 0.332741 0.743684 0.15 . .
20 Co 3a 0.667259 0.833629 0.743684 0.15 . .
21 Co 3a 0.666075 0.833037 0.922983 0.15 . .
22 Mo 6c 0.666667 0.333333 0.167623 -0.02 . .
23 Mo 6c 0.333333 0.666667 0.319355 0.06 . .
24 Mo 6c 0.333333 0.666667 0.117008 -0.02 . .
25 Mo 6c 0.333333 0.666667 0.216325 -0.02 . .
26 Mo 6c 0.000000 0.000000 0.165710 -0.02 . .
27 Mo 6c 0.333333 0.666667 0.013978 0.06 . .
28 Mo 6c 0.333333 0.666667 0.500957 -0.02 . .
29 Mo 6c 0.000000 0.000000 0.652689 0.06 . .
30 Mo 6c 0.000000 0.000000 0.450341 -0.02 . .
31 Mo 6c 0.000000 0.000000 0.549659 -0.02 . .
32 Mo 6c 0.666667 0.333333 0.499043 -0.02 . .
33 Mo 6c 0.000000 0.000000 0.347311 0.06 . .
34 Mo 6c 0.000000 0.000000 0.834290 -0.02 . .
35 Mo 6c 0.666667 0.333333 0.986022 0.06 . .
36 Mo 6c 0.666667 0.333333 0.783675 -0.02 . .
37 Mo 6c 0.666667 0.333333 0.882992 -0.02 . .
38 Mo 6c 0.333333 0.666667 0.832377 -0.02 . .
39 Mo 6c 0.666667 0.333333 0.680645 0.06 . .
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 Co 18h 2 Co 18h 5.16 .
1 Co 18h 3 Co 18h 6.69 .
1 Co 18h 4 Co 18h 2.37 .
1 Co 18h 5 Co 18h 4.58 .
1 Co 18h 6 Co 18h 5.16 .
1 Co 18h 7 Co 18h 2.37 .
1 Co 18h 8 Co 18h 8.94 .
1 Co 18h 9 Co 18h 4.17 .
1 Co 18h 10 Co 18h 2.40 .
1 Co 18h 11 Co 18h 8.62 .
1 Co 18h 12 Co 18h 4.79 .
1 Co 18h 13 Co 18h 4.17 .
1 Co 18h 14 Co 18h 8.62 .
1 Co 18h 15 Co 18h 8.94 .
1 Co 18h 16 Co 18h 12.52 .
1 Co 18h 17 Co 18h 10.74 .
1 Co 18h 18 Co 18h 8.62 .
1 Co 18h 19 Co 3a 12.74 .
1 Co 18h 20 Co 3a 12.52 .
1 Co 18h 21 Co 3a 8.62 .
1 Co 18h 22 Mo 6c 2.65 .
1 Co 18h 23 Mo 6c 2.87 .
1 Co 18h 24 Mo 6c 4.28 .
1 Co 18h 25 Mo 6c 2.59 .
1 Co 18h 26 Mo 6c 2.69 .
1 Co 18h 27 Mo 6c 6.63 .
1 Co 18h 28 Mo 6c 6.68 .
1 Co 18h 29 Mo 6c 10.21 .
1 Co 18h 30 Mo 6c 5.14 .
1 Co 18h 31 Mo 6c 7.61 .
1 Co 18h 32 Mo 6c 6.35 .
1 Co 18h 33 Mo 6c 2.70 .
1 Co 18h 34 Mo 6c 10.86 .
1 Co 18h 35 Mo 6c 7.04 .
1 Co 18h 36 Mo 6c 12.15 .
1 Co 18h 37 Mo 6c 9.63 .
1 Co 18h 38 Mo 6c 11.08 .
1 Co 18h 39 Mo 6c 10.92 .
2 Co 18h 3 Co 18h 2.40 .
2 Co 18h 4 Co 18h 4.58 .
2 Co 18h 5 Co 18h 2.37 .
2 Co 18h 6 Co 18h 2.37 .
2 Co 18h 7 Co 18h 5.16 .
2 Co 18h 8 Co 18h 12.52 .
2 Co 18h 9 Co 18h 8.94 .
2 Co 18h 10 Co 18h 6.69 .
2 Co 18h 11 Co 18h 12.74 .
2 Co 18h 12 Co 18h 8.62 .
2 Co 18h 13 Co 18h 8.62 .
2 Co 18h 14 Co 18h 12.52 .
2 Co 18h 15 Co 18h 4.17 .
2 Co 18h 16 Co 18h 8.94 .
2 Co 18h 17 Co 18h 10.74 .
2 Co 18h 18 Co 18h 4.79 .
2 Co 18h 19 Co 3a 8.62 .
2 Co 18h 20 Co 3a 8.62 .
2 Co 18h 21 Co 3a 4.17 .
2 Co 18h 22 Mo 6c 2.69 .
2 Co 18h 23 Mo 6c 6.63 .
2 Co 18h 24 Mo 6c 2.59 .
2 Co 18h 25 Mo 6c 4.28 .
2 Co 18h 26 Mo 6c 2.65 .
2 Co 18h 27 Mo 6c 2.87 .
2 Co 18h 28 Mo 6c 11.08 .
2 Co 18h 29 Mo 6c 10.92 .
2 Co 18h 30 Mo 6c 9.63 .
2 Co 18h 31 Mo 6c 12.15 .
2 Co 18h 32 Mo 6c 10.86 .
2 Co 18h 33 Mo 6c 7.04 .
2 Co 18h 34 Mo 6c 6.35 .
2 Co 18h 35 Mo 6c 2.70 .
2 Co 18h 36 Mo 6c 7.61 .
2 Co 18h 37 Mo 6c 5.14 .
2 Co 18h 38 Mo 6c 6.68 .
2 Co 18h 39 Mo 6c 10.21 .
3 Co 18h 4 Co 18h 6.69 .
3 Co 18h 5 Co 18h 2.40 .
3 Co 18h 6 Co 18h 2.40 .
3 Co 18h 7 Co 18h 6.69 .
3 Co 18h 8 Co 18h 10.74 .
3 Co 18h 9 Co 18h 10.74 .
3 Co 18h 10 Co 18h 8.94 .
3 Co 18h 11 Co 18h 10.74 .
3 Co 18h 12 Co 18h 10.74 .
3 Co 18h 13 Co 18h 10.74 .
3 Co 18h 14 Co 18h 10.74 .
3 Co 18h 15 Co 18h 2.40 .
3 Co 18h 16 Co 18h 6.69 .
3 Co 18h 17 Co 18h 8.94 .
3 Co 18h 18 Co 18h 2.40 .
3 Co 18h 19 Co 3a 6.69 .
3 Co 18h 20 Co 3a 6.69 .
3 Co 18h 21 Co 3a 2.40 .
3 Co 18h 22 Mo 6c 5.08 .
3 Co 18h 23 Mo 6c 8.60 .
3 Co 18h 24 Mo 6c 4.06 .
3 Co 18h 25 Mo 6c 6.17 .
3 Co 18h 26 Mo 6c 4.23 .
3 Co 18h 27 Mo 6c 2.77 .
3 Co 18h 28 Mo 6c 13.03 .
3 Co 18h 29 Mo 6c 8.87 .
3 Co 18h 30 Mo 6c 11.50 .
3 Co 18h 31 Mo 6c 11.50 .
3 Co 18h 32 Mo 6c 13.03 .
3 Co 18h 33 Mo 6c 8.87 .
3 Co 18h 34 Mo 6c 4.23 .
3 Co 18h 35 Mo 6c 2.77 .
3 Co 18h 36 Mo 6c 6.17 .
3 Co 18h 37 Mo 6c 4.06 .
3 Co 18h 38 Mo 6c 5.08 .
3 Co 18h 39 Mo 6c 8.60 .
4 Co 18h 5 Co 18h 5.16 .
4 Co 18h 6 Co 18h 5.16 .
4 Co 18h 7 Co 18h 2.37 .
4 Co 18h 8 Co 18h 8.62 .
4 Co 18h 9 Co 18h 4.79 .
4 Co 18h 10 Co 18h 2.40 .
4 Co 18h 11 Co 18h 8.94 .
4 Co 18h 12 Co 18h 4.17 .
4 Co 18h 13 Co 18h 4.17 .
4 Co 18h 14 Co 18h 8.62 .
4 Co 18h 15 Co 18h 8.62 .
4 Co 18h 16 Co 18h 12.74 .
4 Co 18h 17 Co 18h 10.74 .
4 Co 18h 18 Co 18h 8.94 .
4 Co 18h 19 Co 3a 12.52 .
4 Co 18h 20 Co 3a 12.52 .
4 Co 18h 21 Co 3a 8.62 .
4 Co 18h 22 Mo 6c 2.65 .
4 Co 18h 23 Mo 6c 2.87 .
4 Co 18h 24 Mo 6c 4.28 .
4 Co 18h 25 Mo 6c 2.59 .
4 Co 18h 26 Mo 6c 2.69 .
4 Co 18h 27 Mo 6c 6.63 .
4 Co 18h 28 Mo 6c 6.68 .
4 Co 18h 29 Mo 6c 10.21 .
4 Co 18h 30 Mo 6c 5.14 .
4 Co 18h 31 Mo 6c 7.61 .
4 Co 18h 32 Mo 6c 6.35 .
4 Co 18h 33 Mo 6c 2.70 .
4 Co 18h 34 Mo 6c 10.86 .
4 Co 18h 35 Mo 6c 7.04 .
4 Co 18h 36 Mo 6c 12.15 .
4 Co 18h 37 Mo 6c 9.63 .
4 Co 18h 38 Mo 6c 11.08 .
4 Co 18h 39 Mo 6c 10.92 .
5 Co 18h 6 Co 18h 2.37 .
5 Co 18h 7 Co 18h 5.16 .
5 Co 18h 8 Co 18h 12.74 .
5 Co 18h 9 Co 18h 8.62 .
5 Co 18h 10 Co 18h 6.69 .
5 Co 18h 11 Co 18h 12.52 .
5 Co 18h 12 Co 18h 8.94 .
5 Co 18h 13 Co 18h 8.62 .
5 Co 18h 14 Co 18h 12.52 .
5 Co 18h 15 Co 18h 4.79 .
5 Co 18h 16 Co 18h 8.62 .
5 Co 18h 17 Co 18h 10.74 .
5 Co 18h 18 Co 18h 4.17 .
5 Co 18h 19 Co 3a 8.94 .
5 Co 18h 20 Co 3a 8.62 .
5 Co 18h 21 Co 3a 4.17 .
5 Co 18h 22 Mo 6c 2.69 .
5 Co 18h 23 Mo 6c 6.63 .
5 Co 18h 24 Mo 6c 2.59 .
5 Co 18h 25 Mo 6c 4.28 .
5 Co 18h 26 Mo 6c 2.65 .
5 Co 18h 27 Mo 6c 2.87 .
5 Co 18h 28 Mo 6c 11.08 .
5 Co 18h 29 Mo 6c 10.92 .
5 Co 18h 30 Mo 6c 9.63 .
5 Co 18h 31 Mo 6c 12.15 .
5 Co 18h 32 Mo 6c 10.86 .
5 Co 18h 33 Mo 6c 7.04 .
5 Co 18h 34 Mo 6c 6.35 .
5 Co 18h 35 Mo 6c 2.70 .
5 Co 18h 36 Mo 6c 7.61 .
5 Co 18h 37 Mo 6c 5.14 .
5 Co 18h 38 Mo 6c 6.68 .
5 Co 18h 39 Mo 6c 10.21 .
6 Co 18h 7 Co 18h 4.58 .
6 Co 18h 8 Co 18h 12.52 .
6 Co 18h 9 Co 18h 8.62 .
6 Co 18h 10 Co 18h 6.69 .
6 Co 18h 11 Co 18h 12.52 .
6 Co 18h 12 Co 18h 8.62 .
6 Co 18h 13 Co 18h 8.94 .
6 Co 18h 14 Co 18h 12.74 .
6 Co 18h 15 Co 18h 4.17 .
6 Co 18h 16 Co 18h 8.62 .
6 Co 18h 17 Co 18h 10.74 .
6 Co 18h 18 Co 18h 4.17 .
6 Co 18h 19 Co 3a 8.62 .
6 Co 18h 20 Co 3a 8.94 .
6 Co 18h 21 Co 3a 4.79 .
6 Co 18h 22 Mo 6c 2.69 .
6 Co 18h 23 Mo 6c 6.63 .
6 Co 18h 24 Mo 6c 2.59 .
6 Co 18h 25 Mo 6c 4.28 .
6 Co 18h 26 Mo 6c 2.65 .
6 Co 18h 27 Mo 6c 2.87 .
6 Co 18h 28 Mo 6c 11.08 .
6 Co 18h 29 Mo 6c 10.92 .
6 Co 18h 30 Mo 6c 9.63 .
6 Co 18h 31 Mo 6c 12.15 .
6 Co 18h 32 Mo 6c 10.86 .
6 Co 18h 33 Mo 6c 7.04 .
6 Co 18h 34 Mo 6c 6.35 .
6 Co 18h 35 Mo 6c 2.70 .
6 Co 18h 36 Mo 6c 7.61 .
6 Co 18h 37 Mo 6c 5.14 .
6 Co 18h 38 Mo 6c 6.68 .
6 Co 18h 39 Mo 6c 10.21 .
7 Co 18h 8 Co 18h 8.62 .
7 Co 18h 9 Co 18h 4.17 .
7 Co 18h 10 Co 18h 2.40 .
7 Co 18h 11 Co 18h 8.62 .
7 Co 18h 12 Co 18h 4.17 .
7 Co 18h 13 Co 18h 4.79 .
7 Co 18h 14 Co 18h 8.94 .
7 Co 18h 15 Co 18h 8.62 .
7 Co 18h 16 Co 18h 12.52 .
7 Co 18h 17 Co 18h 10.74 .
7 Co 18h 18 Co 18h 8.62 .
7 Co 18h 19 Co 3a 12.52 .
7 Co 18h 20 Co 3a 12.74 .
7 Co 18h 21 Co 3a 8.94 .
7 Co 18h 22 Mo 6c 2.65 .
7 Co 18h 23 Mo 6c 2.87 .
7 Co 18h 24 Mo 6c 4.28 .
7 Co 18h 25 Mo 6c 2.59 .
7 Co 18h 26 Mo 6c 2.69 .
7 Co 18h 27 Mo 6c 6.63 .
7 Co 18h 28 Mo 6c 6.68 .
7 Co 18h 29 Mo 6c 10.21 .
7 Co 18h 30 Mo 6c 5.14 .
7 Co 18h 31 Mo 6c 7.61 .
7 Co 18h 32 Mo 6c 6.35 .
7 Co 18h 33 Mo 6c 2.70 .
7 Co 18h 34 Mo 6c 10.86 .
7 Co 18h 35 Mo 6c 7.04 .
7 Co 18h 36 Mo 6c 12.15 .
7 Co 18h 37 Mo 6c 9.63 .
7 Co 18h 38 Mo 6c 11.08 .
7 Co 18h 39 Mo 6c 10.92 .
8 Co 18h 9 Co 18h 5.16 .
8 Co 18h 10 Co 18h 6.69 .
8 Co 18h 11 Co 18h 2.37 .
8 Co 18h 12 Co 18h 4.58 .
8 Co 18h 13 Co 18h 5.16 .
8 Co 18h 14 Co 18h 2.37 .
8 Co 18h 15 Co 18h 8.94 .
8 Co 18h 16 Co 18h 4.17 .
8 Co 18h 17 Co 18h 2.40 .
8 Co 18h 18 Co 18h 8.62 .
8 Co 18h 19 Co 3a 4.79 .
8 Co 18h 20 Co 3a 4.17 .
8 Co 18h 21 Co 3a 8.62 .
8 Co 18h 22 Mo 6c 10.86 .
8 Co 18h 23 Mo 6c 7.04 .
8 Co 18h 24 Mo 6c 12.15 .
8 Co 18h 25 Mo 6c 9.63 .
8 Co 18h 26 Mo 6c 11.08 .
8 Co 18h 27 Mo 6c 10.92 .
8 Co 18h 28 Mo 6c 2.65 .
8 Co 18h 29 Mo 6c 2.87 .
8 Co 18h 30 Mo 6c 4.28 .
8 Co 18h 31 Mo 6c 2.59 .
8 Co 18h 32 Mo 6c 2.69 .
8 Co 18h 33 Mo 6c 6.63 .
8 Co 18h 34 Mo 6c 6.68 .
8 Co 18h 35 Mo 6c 10.21 .
8 Co 18h 36 Mo 6c 5.14 .
8 Co 18h 37 Mo 6c 7.61 .
8 Co 18h 38 Mo 6c 6.35 .
8 Co 18h 39 Mo 6c 2.70 .
9 Co 18h 10 Co 18h 2.40 .
9 Co 18h 11 Co 18h 4.58 .
9 Co 18h 12 Co 18h 2.37 .
9 Co 18h 13 Co 18h 2.37 .
9 Co 18h 14 Co 18h 5.16 .
9 Co 18h 15 Co 18h 12.52 .
9 Co 18h 16 Co 18h 8.94 .
9 Co 18h 17 Co 18h 6.69 .
9 Co 18h 18 Co 18h 12.74 .
9 Co 18h 19 Co 3a 8.62 .
9 Co 18h 20 Co 3a 8.62 .
9 Co 18h 21 Co 3a 12.52 .
9 Co 18h 22 Mo 6c 6.35 .
9 Co 18h 23 Mo 6c 2.70 .
9 Co 18h 24 Mo 6c 7.61 .
9 Co 18h 25 Mo 6c 5.14 .
9 Co 18h 26 Mo 6c 6.68 .
9 Co 18h 27 Mo 6c 10.21 .
9 Co 18h 28 Mo 6c 2.69 .
9 Co 18h 29 Mo 6c 6.63 .
9 Co 18h 30 Mo 6c 2.59 .
9 Co 18h 31 Mo 6c 4.28 .
9 Co 18h 32 Mo 6c 2.65 .
9 Co 18h 33 Mo 6c 2.87 .
9 Co 18h 34 Mo 6c 11.08 .
9 Co 18h 35 Mo 6c 10.92 .
9 Co 18h 36 Mo 6c 9.63 .
9 Co 18h 37 Mo 6c 12.15 .
9 Co 18h 38 Mo 6c 10.86 .
9 Co 18h 39 Mo 6c 7.04 .
10 Co 18h 11 Co 18h 6.69 .
10 Co 18h 12 Co 18h 2.40 .
10 Co 18h 13 Co 18h 2.40 .
10 Co 18h 14 Co 18h 6.69 .
10 Co 18h 15 Co 18h 10.74 .
10 Co 18h 16 Co 18h 10.74 .
10 Co 18h 17 Co 18h 8.94 .
10 Co 18h 18 Co 18h 10.74 .
10 Co 18h 19 Co 3a 10.74 .
10 Co 18h 20 Co 3a 10.74 .
10 Co 18h 21 Co 3a 10.74 .
10 Co 18h 22 Mo 6c 4.23 .
10 Co 18h 23 Mo 6c 2.77 .
10 Co 18h 24 Mo 6c 6.17 .
10 Co 18h 25 Mo 6c 4.06 .
10 Co 18h 26 Mo 6c 5.08 .
10 Co 18h 27 Mo 6c 8.60 .
10 Co 18h 28 Mo 6c 5.08 .
10 Co 18h 29 Mo 6c 8.60 .
10 Co 18h 30 Mo 6c 4.06 .
10 Co 18h 31 Mo 6c 6.17 .
10 Co 18h 32 Mo 6c 4.23 .
10 Co 18h 33 Mo 6c 2.77 .
10 Co 18h 34 Mo 6c 13.03 .
10 Co 18h 35 Mo 6c 8.87 .
10 Co 18h 36 Mo 6c 11.50 .
10 Co 18h 37 Mo 6c 11.50 .
10 Co 18h 38 Mo 6c 13.03 .
10 Co 18h 39 Mo 6c 8.87 .
11 Co 18h 12 Co 18h 5.16 .
11 Co 18h 13 Co 18h 5.16 .
11 Co 18h 14 Co 18h 2.37 .
11 Co 18h 15 Co 18h 8.62 .
11 Co 18h 16 Co 18h 4.79 .
11 Co 18h 17 Co 18h 2.40 .
11 Co 18h 18 Co 18h 8.94 .
11 Co 18h 19 Co 3a 4.17 .
11 Co 18h 20 Co 3a 4.17 .
11 Co 18h 21 Co 3a 8.62 .
11 Co 18h 22 Mo 6c 10.86 .
11 Co 18h 23 Mo 6c 7.04 .
11 Co 18h 24 Mo 6c 12.15 .
11 Co 18h 25 Mo 6c 9.63 .
11 Co 18h 26 Mo 6c 11.08 .
11 Co 18h 27 Mo 6c 10.92 .
11 Co 18h 28 Mo 6c 2.65 .
11 Co 18h 29 Mo 6c 2.87 .
11 Co 18h 30 Mo 6c 4.28 .
11 Co 18h 31 Mo 6c 2.59 .
11 Co 18h 32 Mo 6c 2.69 .
11 Co 18h 33 Mo 6c 6.63 .
11 Co 18h 34 Mo 6c 6.68 .
11 Co 18h 35 Mo 6c 10.21 .
11 Co 18h 36 Mo 6c 5.14 .
11 Co 18h 37 Mo 6c 7.61 .
11 Co 18h 38 Mo 6c 6.35 .
11 Co 18h 39 Mo 6c 2.70 .
12 Co 18h 13 Co 18h 2.37 .
12 Co 18h 14 Co 18h 5.16 .
12 Co 18h 15 Co 18h 12.74 .
12 Co 18h 16 Co 18h 8.62 .
12 Co 18h 17 Co 18h 6.69 .
12 Co 18h 18 Co 18h 12.52 .
12 Co 18h 19 Co 3a 8.94 .
12 Co 18h 20 Co 3a 8.62 .
12 Co 18h 21 Co 3a 12.52 .
12 Co 18h 22 Mo 6c 6.35 .
12 Co 18h 23 Mo 6c 2.70 .
12 Co 18h 24 Mo 6c 7.61 .
12 Co 18h 25 Mo 6c 5.14 .
12 Co 18h 26 Mo 6c 6.68 .
12 Co 18h 27 Mo 6c 10.21 .
12 Co 18h 28 Mo 6c 2.69 .
12 Co 18h 29 Mo 6c 6.63 .
12 Co 18h 30 Mo 6c 2.59 .
12 Co 18h 31 Mo 6c 4.28 .
12 Co 18h 32 Mo 6c 2.65 .
12 Co 18h 33 Mo 6c 2.87 .
12 Co 18h 34 Mo 6c 11.08 .
12 Co 18h 35 Mo 6c 10.92 .
12 Co 18h 36 Mo 6c 9.63 .
12 Co 18h 37 Mo 6c 12.15 .
12 Co 18h 38 Mo 6c 10.86 .
12 Co 18h 39 Mo 6c 7.04 .
13 Co 18h 14 Co 18h 4.58 .
13 Co 18h 15 Co 18h 12.52 .
13 Co 18h 16 Co 18h 8.62 .
13 Co 18h 17 Co 18h 6.69 .
13 Co 18h 18 Co 18h 12.52 .
13 Co 18h 19 Co 3a 8.62 .
13 Co 18h 20 Co 3a 8.94 .
13 Co 18h 21 Co 3a 12.74 .
13 Co 18h 22 Mo 6c 6.35 .
13 Co 18h 23 Mo 6c 2.70 .
13 Co 18h 24 Mo 6c 7.61 .
13 Co 18h 25 Mo 6c 5.14 .
13 Co 18h 26 Mo 6c 6.68 .
13 Co 18h 27 Mo 6c 10.21 .
13 Co 18h 28 Mo 6c 2.69 .
13 Co 18h 29 Mo 6c 6.63 .
13 Co 18h 30 Mo 6c 2.59 .
13 Co 18h 31 Mo 6c 4.28 .
13 Co 18h 32 Mo 6c 2.65 .
13 Co 18h 33 Mo 6c 2.87 .
13 Co 18h 34 Mo 6c 11.08 .
13 Co 18h 35 Mo 6c 10.92 .
13 Co 18h 36 Mo 6c 9.63 .
13 Co 18h 37 Mo 6c 12.15 .
13 Co 18h 38 Mo 6c 10.86 .
13 Co 18h 39 Mo 6c 7.04 .
14 Co 18h 15 Co 18h 8.62 .
14 Co 18h 16 Co 18h 4.17 .
14 Co 18h 17 Co 18h 2.40 .
14 Co 18h 18 Co 18h 8.62 .
14 Co 18h 19 Co 3a 4.17 .
14 Co 18h 20 Co 3a 4.79 .
14 Co 18h 21 Co 3a 8.94 .
14 Co 18h 22 Mo 6c 10.86 .
14 Co 18h 23 Mo 6c 7.04 .
14 Co 18h 24 Mo 6c 12.15 .
14 Co 18h 25 Mo 6c 9.63 .
14 Co 18h 26 Mo 6c 11.08 .
14 Co 18h 27 Mo 6c 10.92 .
14 Co 18h 28 Mo 6c 2.65 .
14 Co 18h 29 Mo 6c 2.87 .
14 Co 18h 30 Mo 6c 4.28 .
14 Co 18h 31 Mo 6c 2.59 .
14 Co 18h 32 Mo 6c 2.69 .
14 Co 18h 33 Mo 6c 6.63 .
14 Co 18h 34 Mo 6c 6.68 .
14 Co 18h 35 Mo 6c 10.21 .
14 Co 18h 36 Mo 6c 5.14 .
14 Co 18h 37 Mo 6c 7.61 .
14 Co 18h 38 Mo 6c 6.35 .
14 Co 18h 39 Mo 6c 2.70 .
15 Co 18h 16 Co 18h 5.16 .
15 Co 18h 17 Co 18h 6.69 .
15 Co 18h 18 Co 18h 2.37 .
15 Co 18h 19 Co 3a 4.58 .
15 Co 18h 20 Co 3a 5.16 .
15 Co 18h 21 Co 3a 2.37 .
15 Co 18h 22 Mo 6c 6.68 .
15 Co 18h 23 Mo 6c 10.21 .
15 Co 18h 24 Mo 6c 5.14 .
15 Co 18h 25 Mo 6c 7.61 .
15 Co 18h 26 Mo 6c 6.35 .
15 Co 18h 27 Mo 6c 2.70 .
15 Co 18h 28 Mo 6c 10.86 .
15 Co 18h 29 Mo 6c 7.04 .
15 Co 18h 30 Mo 6c 12.15 .
15 Co 18h 31 Mo 6c 9.63 .
15 Co 18h 32 Mo 6c 11.08 .
15 Co 18h 33 Mo 6c 10.92 .
15 Co 18h 34 Mo 6c 2.65 .
15 Co 18h 35 Mo 6c 2.87 .
15 Co 18h 36 Mo 6c 4.28 .
15 Co 18h 37 Mo 6c 2.59 .
15 Co 18h 38 Mo 6c 2.69 .
15 Co 18h 39 Mo 6c 6.63 .
16 Co 18h 17 Co 18h 2.40 .
16 Co 18h 18 Co 18h 4.58 .
16 Co 18h 19 Co 3a 2.37 .
16 Co 18h 20 Co 3a 2.37 .
16 Co 18h 21 Co 3a 5.16 .
16 Co 18h 22 Mo 6c 11.08 .
16 Co 18h 23 Mo 6c 10.92 .
16 Co 18h 24 Mo 6c 9.63 .
16 Co 18h 25 Mo 6c 12.15 .
16 Co 18h 26 Mo 6c 10.86 .
16 Co 18h 27 Mo 6c 7.04 .
16 Co 18h 28 Mo 6c 6.35 .
16 Co 18h 29 Mo 6c 2.70 .
16 Co 18h 30 Mo 6c 7.61 .
16 Co 18h 31 Mo 6c 5.14 .
16 Co 18h 32 Mo 6c 6.68 .
16 Co 18h 33 Mo 6c 10.21 .
16 Co 18h 34 Mo 6c 2.69 .
16 Co 18h 35 Mo 6c 6.63 .
16 Co 18h 36 Mo 6c 2.59 .
16 Co 18h 37 Mo 6c 4.28 .
16 Co 18h 38 Mo 6c 2.65 .
16 Co 18h 39 Mo 6c 2.87 .
17 Co 18h 18 Co 18h 6.69 .
17 Co 18h 19 Co 3a 2.40 .
17 Co 18h 20 Co 3a 2.40 .
17 Co 18h 21 Co 3a 6.69 .
17 Co 18h 22 Mo 6c 13.03 .
17 Co 18h 23 Mo 6c 8.87 .
17 Co 18h 24 Mo 6c 11.50 .
17 Co 18h 25 Mo 6c 11.50 .
17 Co 18h 26 Mo 6c 13.03 .
17 Co 18h 27 Mo 6c 8.87 .
17 Co 18h 28 Mo 6c 4.23 .
17 Co 18h 29 Mo 6c 2.77 .
17 Co 18h 30 Mo 6c 6.17 .
17 Co 18h 31 Mo 6c 4.06 .
17 Co 18h 32 Mo 6c 5.08 .
17 Co 18h 33 Mo 6c 8.60 .
17 Co 18h 34 Mo 6c 5.08 .
17 Co 18h 35 Mo 6c 8.60 .
17 Co 18h 36 Mo 6c 4.06 .
17 Co 18h 37 Mo 6c 6.17 .
17 Co 18h 38 Mo 6c 4.23 .
17 Co 18h 39 Mo 6c 2.77 .
18 Co 18h 19 Co 3a 5.16 .
18 Co 18h 20 Co 3a 5.16 .
18 Co 18h 21 Co 3a 2.37 .
18 Co 18h 22 Mo 6c 6.68 .
18 Co 18h 23 Mo 6c 10.21 .
18 Co 18h 24 Mo 6c 5.14 .
18 Co 18h 25 Mo 6c 7.61 .
18 Co 18h 26 Mo 6c 6.35 .
18 Co 18h 27 Mo 6c 2.70 .
18 Co 18h 28 Mo 6c 10.86 .
18 Co 18h 29 Mo 6c 7.04 .
18 Co 18h 30 Mo 6c 12.15 .
18 Co 18h 31 Mo 6c 9.63 .
18 Co 18h 32 Mo 6c 11.08 .
18 Co 18h 33 Mo 6c 10.92 .
18 Co 18h 34 Mo 6c 2.65 .
18 Co 18h 35 Mo 6c 2.87 .
18 Co 18h 36 Mo 6c 4.28 .
18 Co 18h 37 Mo 6c 2.59 .
18 Co 18h 38 Mo 6c 2.69 .
18 Co 18h 39 Mo 6c 6.63 .
19 Co 3a 20 Co 3a 2.37 .
19 Co 3a 21 Co 3a 5.16 .
19 Co 3a 22 Mo 6c 11.08 .
19 Co 3a 23 Mo 6c 10.92 .
19 Co 3a 24 Mo 6c 9.63 .
19 Co 3a 25 Mo 6c 12.15 .
19 Co 3a 26 Mo 6c 10.86 .
19 Co 3a 27 Mo 6c 7.04 .
19 Co 3a 28 Mo 6c 6.35 .
19 Co 3a 29 Mo 6c 2.70 .
19 Co 3a 30 Mo 6c 7.61 .
19 Co 3a 31 Mo 6c 5.14 .
19 Co 3a 32 Mo 6c 6.68 .
19 Co 3a 33 Mo 6c 10.21 .
19 Co 3a 34 Mo 6c 2.69 .
19 Co 3a 35 Mo 6c 6.63 .
19 Co 3a 36 Mo 6c 2.59 .
19 Co 3a 37 Mo 6c 4.28 .
19 Co 3a 38 Mo 6c 2.65 .
19 Co 3a 39 Mo 6c 2.87 .
20 Co 3a 21 Co 3a 4.58 .
20 Co 3a 22 Mo 6c 11.08 .
20 Co 3a 23 Mo 6c 10.92 .
20 Co 3a 24 Mo 6c 9.63 .
20 Co 3a 25 Mo 6c 12.15 .
20 Co 3a 26 Mo 6c 10.86 .
20 Co 3a 27 Mo 6c 7.04 .
20 Co 3a 28 Mo 6c 6.35 .
20 Co 3a 29 Mo 6c 2.70 .
20 Co 3a 30 Mo 6c 7.61 .
20 Co 3a 31 Mo 6c 5.14 .
20 Co 3a 32 Mo 6c 6.68 .
20 Co 3a 33 Mo 6c 10.21 .
20 Co 3a 34 Mo 6c 2.69 .
20 Co 3a 35 Mo 6c 6.63 .
20 Co 3a 36 Mo 6c 2.59 .
20 Co 3a 37 Mo 6c 4.28 .
20 Co 3a 38 Mo 6c 2.65 .
20 Co 3a 39 Mo 6c 2.87 .
21 Co 3a 22 Mo 6c 6.68 .
21 Co 3a 23 Mo 6c 10.21 .
21 Co 3a 24 Mo 6c 5.14 .
21 Co 3a 25 Mo 6c 7.61 .
21 Co 3a 26 Mo 6c 6.35 .
21 Co 3a 27 Mo 6c 2.70 .
21 Co 3a 28 Mo 6c 10.86 .
21 Co 3a 29 Mo 6c 7.04 .
21 Co 3a 30 Mo 6c 12.15 .
21 Co 3a 31 Mo 6c 9.63 .
21 Co 3a 32 Mo 6c 11.08 .
21 Co 3a 33 Mo 6c 10.92 .
21 Co 3a 34 Mo 6c 2.65 .
21 Co 3a 35 Mo 6c 2.87 .
21 Co 3a 36 Mo 6c 4.28 .
21 Co 3a 37 Mo 6c 2.59 .
21 Co 3a 38 Mo 6c 2.69 .
21 Co 3a 39 Mo 6c 6.63 .
22 Mo 6c 23 Mo 6c 4.75 .
22 Mo 6c 24 Mo 6c 3.03 .
22 Mo 6c 25 Mo 6c 3.01 .
22 Mo 6c 26 Mo 6c 2.74 .
22 Mo 6c 27 Mo 6c 4.79 .
22 Mo 6c 28 Mo 6c 8.94 .
22 Mo 6c 29 Mo 6c 12.68 .
22 Mo 6c 30 Mo 6c 7.72 .
22 Mo 6c 31 Mo 6c 10.13 .
22 Mo 6c 32 Mo 6c 8.46 .
22 Mo 6c 33 Mo 6c 5.34 .
22 Mo 6c 34 Mo 6c 8.94 .
22 Mo 6c 35 Mo 6c 4.64 .
22 Mo 6c 36 Mo 6c 9.80 .
22 Mo 6c 37 Mo 6c 7.27 .
22 Mo 6c 38 Mo 6c 8.99 .
22 Mo 6c 39 Mo 6c 12.43 .
23 Mo 6c 24 Mo 6c 5.17 .
23 Mo 6c 25 Mo 6c 2.63 .
23 Mo 6c 26 Mo 6c 4.79 .
23 Mo 6c 27 Mo 6c 7.80 .
23 Mo 6c 28 Mo 6c 4.64 .
23 Mo 6c 29 Mo 6c 8.94 .
23 Mo 6c 30 Mo 6c 4.32 .
23 Mo 6c 31 Mo 6c 6.49 .
23 Mo 6c 32 Mo 6c 5.34 .
23 Mo 6c 33 Mo 6c 2.83 .
23 Mo 6c 34 Mo 6c 12.68 .
23 Mo 6c 35 Mo 6c 8.94 .
23 Mo 6c 36 Mo 6c 12.17 .
23 Mo 6c 37 Mo 6c 11.47 .
23 Mo 6c 38 Mo 6c 12.43 .
23 Mo 6c 39 Mo 6c 9.62 .
24 Mo 6c 25 Mo 6c 2.54 .
24 Mo 6c 26 Mo 6c 3.01 .
24 Mo 6c 27 Mo 6c 2.63 .
24 Mo 6c 28 Mo 6c 9.80 .
24 Mo 6c 29 Mo 6c 12.17 .
24 Mo 6c 30 Mo 6c 8.94 .
24 Mo 6c 31 Mo 6c 11.38 .
24 Mo 6c 32 Mo 6c 10.13 .
24 Mo 6c 33 Mo 6c 6.49 .
24 Mo 6c 34 Mo 6c 7.72 .
24 Mo 6c 35 Mo 6c 4.32 .
24 Mo 6c 36 Mo 6c 8.94 .
24 Mo 6c 37 Mo 6c 6.57 .
24 Mo 6c 38 Mo 6c 7.27 .
24 Mo 6c 39 Mo 6c 11.47 .
25 Mo 6c 26 Mo 6c 3.03 .
25 Mo 6c 27 Mo 6c 5.17 .
25 Mo 6c 28 Mo 6c 7.27 .
25 Mo 6c 29 Mo 6c 11.47 .
25 Mo 6c 30 Mo 6c 6.57 .
25 Mo 6c 31 Mo 6c 8.94 .
25 Mo 6c 32 Mo 6c 7.72 .
25 Mo 6c 33 Mo 6c 4.32 .
25 Mo 6c 34 Mo 6c 10.13 .
25 Mo 6c 35 Mo 6c 6.49 .
25 Mo 6c 36 Mo 6c 11.38 .
25 Mo 6c 37 Mo 6c 8.94 .
25 Mo 6c 38 Mo 6c 9.80 .
25 Mo 6c 39 Mo 6c 12.17 .
26 Mo 6c 27 Mo 6c 4.75 .
26 Mo 6c 28 Mo 6c 8.99 .
26 Mo 6c 29 Mo 6c 12.43 .
26 Mo 6c 30 Mo 6c 7.27 .
26 Mo 6c 31 Mo 6c 9.80 .
26 Mo 6c 32 Mo 6c 8.94 .
26 Mo 6c 33 Mo 6c 4.64 .
26 Mo 6c 34 Mo 6c 8.46 .
26 Mo 6c 35 Mo 6c 5.34 .
26 Mo 6c 36 Mo 6c 10.13 .
26 Mo 6c 37 Mo 6c 7.72 .
26 Mo 6c 38 Mo 6c 8.94 .
26 Mo 6c 39 Mo 6c 12.68 .
27 Mo 6c 28 Mo 6c 12.43 .
27 Mo 6c 29 Mo 6c 9.62 .
27 Mo 6c 30 Mo 6c 11.47 .
27 Mo 6c 31 Mo 6c 12.17 .
27 Mo 6c 32 Mo 6c 12.68 .
27 Mo 6c 33 Mo 6c 8.94 .
27 Mo 6c 34 Mo 6c 5.34 .
27 Mo 6c 35 Mo 6c 2.83 .
27 Mo 6c 36 Mo 6c 6.49 .
27 Mo 6c 37 Mo 6c 4.32 .
27 Mo 6c 38 Mo 6c 4.64 .
27 Mo 6c 39 Mo 6c 8.94 .
28 Mo 6c 29 Mo 6c 4.75 .
28 Mo 6c 30 Mo 6c 3.03 .
28 Mo 6c 31 Mo 6c 3.01 .
28 Mo 6c 32 Mo 6c 2.74 .
28 Mo 6c 33 Mo 6c 4.79 .
28 Mo 6c 34 Mo 6c 8.94 .
28 Mo 6c 35 Mo 6c 12.68 .
28 Mo 6c 36 Mo 6c 7.72 .
28 Mo 6c 37 Mo 6c 10.13 .
28 Mo 6c 38 Mo 6c 8.46 .
28 Mo 6c 39 Mo 6c 5.34 .
29 Mo 6c 30 Mo 6c 5.17 .
29 Mo 6c 31 Mo 6c 2.63 .
29 Mo 6c 32 Mo 6c 4.79 .
29 Mo 6c 33 Mo 6c 7.80 .
29 Mo 6c 34 Mo 6c 4.64 .
29 Mo 6c 35 Mo 6c 8.94 .
29 Mo 6c 36 Mo 6c 4.32 .
29 Mo 6c 37 Mo 6c 6.49 .
29 Mo 6c 38 Mo 6c 5.34 .
29 Mo 6c 39 Mo 6c 2.83 .
30 Mo 6c 31 Mo 6c 2.54 .
30 Mo 6c 32 Mo 6c 3.01 .
30 Mo 6c 33 Mo 6c 2.63 .
30 Mo 6c 34 Mo 6c 9.80 .
30 Mo 6c 35 Mo 6c 12.17 .
30 Mo 6c 36 Mo 6c 8.94 .
30 Mo 6c 37 Mo 6c 11.38 .
30 Mo 6c 38 Mo 6c 10.13 .
30 Mo 6c 39 Mo 6c 6.49 .
31 Mo 6c 32 Mo 6c 3.03 .
31 Mo 6c 33 Mo 6c 5.17 .
31 Mo 6c 34 Mo 6c 7.27 .
31 Mo 6c 35 Mo 6c 11.47 .
31 Mo 6c 36 Mo 6c 6.57 .
31 Mo 6c 37 Mo 6c 8.94 .
31 Mo 6c 38 Mo 6c 7.72 .
31 Mo 6c 39 Mo 6c 4.32 .
32 Mo 6c 33 Mo 6c 4.75 .
32 Mo 6c 34 Mo 6c 8.99 .
32 Mo 6c 35 Mo 6c 12.43 .
32 Mo 6c 36 Mo 6c 7.27 .
32 Mo 6c 37 Mo 6c 9.80 .
32 Mo 6c 38 Mo 6c 8.94 .
32 Mo 6c 39 Mo 6c 4.64 .
33 Mo 6c 34 Mo 6c 12.43 .
33 Mo 6c 35 Mo 6c 9.62 .
33 Mo 6c 36 Mo 6c 11.47 .
33 Mo 6c 37 Mo 6c 12.17 .
33 Mo 6c 38 Mo 6c 12.68 .
33 Mo 6c 39 Mo 6c 8.94 .
34 Mo 6c 35 Mo 6c 4.75 .
34 Mo 6c 36 Mo 6c 3.03 .
34 Mo 6c 37 Mo 6c 3.01 .
34 Mo 6c 38 Mo 6c 2.74 .
34 Mo 6c 39 Mo 6c 4.79 .
35 Mo 6c 36 Mo 6c 5.17 .
35 Mo 6c 37 Mo 6c 2.63 .
35 Mo 6c 38 Mo 6c 4.79 .
35 Mo 6c 39 Mo 6c 7.80 .
36 Mo 6c 37 Mo 6c 2.54 .
36 Mo 6c 38 Mo 6c 3.01 .
36 Mo 6c 39 Mo 6c 2.63 .
37 Mo 6c 38 Mo 6c 3.03 .
37 Mo 6c 39 Mo 6c 5.17 .
38 Mo 6c 39 Mo 6c 4.75 .
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) = (16, 16, 2) 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-567747
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