Material:

Mn2Co9N8

ID:

MMD-2720

Explore database:

Compounds with the same formula: Mn2Co9N8 (1 entry found)
Compounds with the same elements: Mn-Co-N (16 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

monoclinic

Space group number

12

Hermann-Mauguin

C2/m

Hall

-C 2y

Point group

2/m

Structure data:

Normalized formula

Mn2Co9N8

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

10

Structure search

MP

Lattice parameters:

a (Å)

14.1224

b (Å)

3.9039

c (Å)

6.5195

α (deg.)

90.000

β (deg.)

109.039

γ (deg.)

90.000

Volume (Å3)

339.769

Density (g/cm3)

7.354

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

203.1 meV/atom

Formation energy above hull

Phase diagram:

Phase diagram
The convex hull is temporarily not available while we perform maintenance.

Related structures:

Compounds with the same formula: Mn2Co9N8

1 entry found

Compounds with the same elements: Mn-Co-N

16 entries found

Binary compounds in Mn-Co system

4 entries found

Binary compounds in Mn-N system

12 entries found

Binary compounds in Co-N system

183 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

1.89 μB/cell

Averaged magnetic moment

0.05 μB/atom

Magnetic polarization, Js = μ0Ms

0.06 T (= 47.7 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 Mn 4i 0.779588 0.000000 0.806099 0.69 . .
2 Mn 4i 0.720412 0.500000 0.193901 0.69 . .
3 Mn 4i 0.279588 0.500000 0.806099 0.69 . .
4 Mn 4i 0.220412 0.000000 0.193901 0.69 . .
5 Co 2d 0.000000 0.500000 0.500000 0.51 . .
6 Co 2d 0.982595 0.000000 0.787043 -0.00 . .
7 Co 4i 0.517405 0.500000 0.212957 -0.00 . .
8 Co 4i 0.671741 0.000000 0.412300 -0.19 . .
9 Co 4i 0.828259 0.500000 0.587700 -0.19 . .
10 Co 4i 0.597148 0.000000 0.975687 -0.15 . .
11 Co 4i 0.902852 0.500000 0.024313 -0.15 . .
12 Co 4i 0.851111 0.000000 0.308683 -0.17 . .
13 Co 4i 0.648889 0.500000 0.691317 -0.17 . .
14 Co 4i 0.500000 0.000000 0.500000 0.51 . .
15 Co 4i 0.482595 0.500000 0.787043 -0.00 . .
16 Co 4i 0.017405 0.000000 0.212957 -0.00 . .
17 Co 4i 0.171741 0.500000 0.412300 -0.19 . .
18 Co 4i 0.328259 0.000000 0.587700 -0.19 . .
19 Co 4i 0.097148 0.500000 0.975687 -0.15 . .
20 Co 4i 0.402852 0.000000 0.024313 -0.15 . .
21 Co 4i 0.351111 0.500000 0.308683 -0.17 . .
22 Co 4i 0.148889 0.000000 0.691317 -0.17 . .
23 N 4i 0.883659 0.000000 0.055355 -0.02 . .
24 N 4i 0.616341 0.500000 0.944645 -0.02 . .
25 N 4i 0.821221 0.000000 0.579055 -0.02 . .
26 N 4i 0.678779 0.500000 0.420945 -0.02 . .
27 N 4i 0.641526 0.000000 0.705065 -0.02 . .
28 N 4i 0.858474 0.500000 0.294935 -0.02 . .
29 N 4i 0.539805 0.000000 0.230273 0.00 . .
30 N 4i 0.960195 0.500000 0.769727 0.00 . .
31 N 4i 0.383659 0.500000 0.055355 -0.02 . .
32 N 4i 0.116341 0.000000 0.944645 -0.02 . .
33 N 4i 0.321221 0.500000 0.579055 -0.02 . .
34 N 4i 0.178779 0.000000 0.420945 -0.02 . .
35 N 4i 0.141526 0.500000 0.705065 -0.02 . .
36 N 4i 0.358474 0.000000 0.294935 -0.02 . .
37 N 4i 0.039805 0.500000 0.230273 0.00 . .
38 N 4i 0.460195 0.000000 0.769727 0.00 . .
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 Mn 4i 2 Mn 4i 3.50 .
1 Mn 4i 3 Mn 4i 7.33 .
1 Mn 4i 4 Mn 4i 5.91 .
1 Mn 4i 5 Co 2d 4.64 .
1 Mn 4i 6 Co 2d 2.91 .
1 Mn 4i 7 Co 4i 4.81 .
1 Mn 4i 8 Co 4i 2.52 .
1 Mn 4i 9 Co 4i 2.64 .
1 Mn 4i 10 Co 4i 3.12 .
1 Mn 4i 11 Co 4i 2.69 .
1 Mn 4i 12 Co 4i 3.10 .
1 Mn 4i 13 Co 4i 2.62 .
1 Mn 4i 14 Co 4i 3.80 .
1 Mn 4i 15 Co 4i 4.59 .
1 Mn 4i 16 Co 4i 3.54 .
1 Mn 4i 17 Co 4i 5.99 .
1 Mn 4i 18 Co 4i 6.06 .
1 Mn 4i 19 Co 4i 4.68 .
1 Mn 4i 20 Co 4i 5.94 .
1 Mn 4i 21 Co 4i 6.18 .
1 Mn 4i 22 Co 4i 5.51 .
1 Mn 4i 23 N 4i 1.80 .
1 Mn 4i 24 N 4i 3.36 .
1 Mn 4i 25 N 4i 1.76 .
1 Mn 4i 26 N 4i 3.13 .
1 Mn 4i 27 N 4i 1.84 .
1 Mn 4i 28 N 4i 3.59 .
1 Mn 4i 29 N 4i 4.16 .
1 Mn 4i 30 N 4i 3.28 .
1 Mn 4i 31 N 4i 6.42 .
1 Mn 4i 32 N 4i 4.54 .
1 Mn 4i 33 N 4i 6.45 .
1 Mn 4i 34 N 4i 5.75 .
1 Mn 4i 35 N 4i 5.71 .
1 Mn 4i 36 N 4i 5.79 .
1 Mn 4i 37 N 4i 4.28 .
1 Mn 4i 38 N 4i 4.44 .
2 Mn 4i 3 Mn 4i 5.91 .
2 Mn 4i 4 Mn 4i 7.33 .
2 Mn 4i 5 Co 2d 3.80 .
2 Mn 4i 6 Co 2d 4.81 .
2 Mn 4i 7 Co 4i 2.91 .
2 Mn 4i 8 Co 4i 2.64 .
2 Mn 4i 9 Co 4i 2.52 .
2 Mn 4i 10 Co 4i 2.69 .
2 Mn 4i 11 Co 4i 3.12 .
2 Mn 4i 12 Co 4i 2.62 .
2 Mn 4i 13 Co 4i 3.10 .
2 Mn 4i 14 Co 4i 4.64 .
2 Mn 4i 15 Co 4i 3.54 .
2 Mn 4i 16 Co 4i 4.59 .
2 Mn 4i 17 Co 4i 6.06 .
2 Mn 4i 18 Co 4i 5.99 .
2 Mn 4i 19 Co 4i 5.94 .
2 Mn 4i 20 Co 4i 4.68 .
2 Mn 4i 21 Co 4i 5.51 .
2 Mn 4i 22 Co 4i 6.18 .
2 Mn 4i 23 N 4i 3.36 .
2 Mn 4i 24 N 4i 1.80 .
2 Mn 4i 25 N 4i 3.13 .
2 Mn 4i 26 N 4i 1.76 .
2 Mn 4i 27 N 4i 3.59 .
2 Mn 4i 28 N 4i 1.84 .
2 Mn 4i 29 N 4i 3.28 .
2 Mn 4i 30 N 4i 4.16 .
2 Mn 4i 31 N 4i 4.54 .
2 Mn 4i 32 N 4i 6.42 .
2 Mn 4i 33 N 4i 5.75 .
2 Mn 4i 34 N 4i 6.45 .
2 Mn 4i 35 N 4i 5.79 .
2 Mn 4i 36 N 4i 5.71 .
2 Mn 4i 37 N 4i 4.44 .
2 Mn 4i 38 N 4i 4.28 .
3 Mn 4i 4 Mn 4i 3.50 .
3 Mn 4i 5 Co 2d 3.80 .
3 Mn 4i 6 Co 2d 4.59 .
3 Mn 4i 7 Co 4i 3.54 .
3 Mn 4i 8 Co 4i 5.99 .
3 Mn 4i 9 Co 4i 6.06 .
3 Mn 4i 10 Co 4i 4.68 .
3 Mn 4i 11 Co 4i 5.94 .
3 Mn 4i 12 Co 4i 6.18 .
3 Mn 4i 13 Co 4i 5.51 .
3 Mn 4i 14 Co 4i 4.64 .
3 Mn 4i 15 Co 4i 2.91 .
3 Mn 4i 16 Co 4i 4.81 .
3 Mn 4i 17 Co 4i 2.52 .
3 Mn 4i 18 Co 4i 2.64 .
3 Mn 4i 19 Co 4i 3.12 .
3 Mn 4i 20 Co 4i 2.69 .
3 Mn 4i 21 Co 4i 3.10 .
3 Mn 4i 22 Co 4i 2.62 .
3 Mn 4i 23 N 4i 6.42 .
3 Mn 4i 24 N 4i 4.54 .
3 Mn 4i 25 N 4i 6.45 .
3 Mn 4i 26 N 4i 5.75 .
3 Mn 4i 27 N 4i 5.71 .
3 Mn 4i 28 N 4i 5.79 .
3 Mn 4i 29 N 4i 4.28 .
3 Mn 4i 30 N 4i 4.44 .
3 Mn 4i 31 N 4i 1.80 .
3 Mn 4i 32 N 4i 3.36 .
3 Mn 4i 33 N 4i 1.76 .
3 Mn 4i 34 N 4i 3.13 .
3 Mn 4i 35 N 4i 1.84 .
3 Mn 4i 36 N 4i 3.59 .
3 Mn 4i 37 N 4i 4.16 .
3 Mn 4i 38 N 4i 3.28 .
4 Mn 4i 5 Co 2d 4.64 .
4 Mn 4i 6 Co 2d 3.54 .
4 Mn 4i 7 Co 4i 4.59 .
4 Mn 4i 8 Co 4i 6.06 .
4 Mn 4i 9 Co 4i 5.99 .
4 Mn 4i 10 Co 4i 5.94 .
4 Mn 4i 11 Co 4i 4.68 .
4 Mn 4i 12 Co 4i 5.51 .
4 Mn 4i 13 Co 4i 6.18 .
4 Mn 4i 14 Co 4i 3.80 .
4 Mn 4i 15 Co 4i 4.81 .
4 Mn 4i 16 Co 4i 2.91 .
4 Mn 4i 17 Co 4i 2.64 .
4 Mn 4i 18 Co 4i 2.52 .
4 Mn 4i 19 Co 4i 2.69 .
4 Mn 4i 20 Co 4i 3.12 .
4 Mn 4i 21 Co 4i 2.62 .
4 Mn 4i 22 Co 4i 3.10 .
4 Mn 4i 23 N 4i 4.54 .
4 Mn 4i 24 N 4i 6.42 .
4 Mn 4i 25 N 4i 5.75 .
4 Mn 4i 26 N 4i 6.45 .
4 Mn 4i 27 N 4i 5.79 .
4 Mn 4i 28 N 4i 5.71 .
4 Mn 4i 29 N 4i 4.44 .
4 Mn 4i 30 N 4i 4.28 .
4 Mn 4i 31 N 4i 3.36 .
4 Mn 4i 32 N 4i 1.80 .
4 Mn 4i 33 N 4i 3.13 .
4 Mn 4i 34 N 4i 1.76 .
4 Mn 4i 35 N 4i 3.59 .
4 Mn 4i 36 N 4i 1.84 .
4 Mn 4i 37 N 4i 3.28 .
4 Mn 4i 38 N 4i 4.16 .
5 Co 2d 6 Co 2d 2.77 .
5 Co 2d 7 Co 4i 6.45 .
5 Co 2d 8 Co 4i 4.89 .
5 Co 2d 9 Co 4i 2.67 .
5 Co 2d 10 Co 4i 5.93 .
5 Co 2d 11 Co 4i 2.95 .
5 Co 2d 12 Co 4i 2.84 .
5 Co 2d 13 Co 4i 5.49 .
5 Co 2d 14 Co 4i 7.33 .
5 Co 2d 15 Co 4i 6.45 .
5 Co 2d 16 Co 4i 2.77 .
5 Co 2d 17 Co 4i 2.67 .
5 Co 2d 18 Co 4i 4.89 .
5 Co 2d 19 Co 4i 2.95 .
5 Co 2d 20 Co 4i 5.93 .
5 Co 2d 21 Co 4i 5.49 .
5 Co 2d 22 Co 4i 2.84 .
5 Co 2d 23 N 4i 3.44 .
5 Co 2d 24 N 4i 5.45 .
5 Co 2d 25 N 4i 3.36 .
5 Co 2d 26 N 4i 4.40 .
5 Co 2d 27 N 4i 5.97 .
5 Co 2d 28 N 4i 2.01 .
5 Co 2d 29 N 4i 6.46 .
5 Co 2d 30 N 4i 2.01 .
5 Co 2d 31 N 4i 5.45 .
5 Co 2d 32 N 4i 3.44 .
5 Co 2d 33 N 4i 4.40 .
5 Co 2d 34 N 4i 3.36 .
5 Co 2d 35 N 4i 2.01 .
5 Co 2d 36 N 4i 5.97 .
5 Co 2d 37 N 4i 2.01 .
5 Co 2d 38 N 4i 6.46 .
6 Co 2d 7 Co 4i 6.70 .
6 Co 2d 8 Co 4i 4.27 .
6 Co 2d 9 Co 4i 2.90 .
6 Co 2d 10 Co 4i 5.96 .
6 Co 2d 11 Co 4i 2.93 .
6 Co 2d 12 Co 4i 3.07 .
6 Co 2d 13 Co 4i 4.95 .
6 Co 2d 14 Co 4i 6.45 .
6 Co 2d 15 Co 4i 7.33 .
6 Co 2d 16 Co 4i 2.66 .
6 Co 2d 17 Co 4i 4.52 .
6 Co 2d 18 Co 4i 5.45 .
6 Co 2d 19 Co 4i 2.58 .
6 Co 2d 20 Co 4i 5.62 .
6 Co 2d 21 Co 4i 5.56 .
6 Co 2d 22 Co 4i 2.62 .
6 Co 2d 23 N 4i 2.57 .
6 Co 2d 24 N 4i 5.92 .
6 Co 2d 25 N 4i 2.24 .
6 Co 2d 26 N 4i 4.61 .
6 Co 2d 27 N 4i 4.67 .
6 Co 2d 28 N 4i 3.68 .
6 Co 2d 29 N 4i 6.12 .
6 Co 2d 30 N 4i 1.97 .
6 Co 2d 31 N 4i 5.70 .
6 Co 2d 32 N 4i 1.83 .
6 Co 2d 33 N 4i 5.72 .
6 Co 2d 34 N 4i 4.16 .
6 Co 2d 35 N 4i 3.15 .
6 Co 2d 36 N 4i 5.26 .
6 Co 2d 37 N 4i 3.36 .
6 Co 2d 38 N 4i 6.78 .
7 Co 4i 8 Co 4i 2.90 .
7 Co 4i 9 Co 4i 4.27 .
7 Co 4i 10 Co 4i 2.93 .
7 Co 4i 11 Co 4i 5.96 .
7 Co 4i 12 Co 4i 4.95 .
7 Co 4i 13 Co 4i 3.07 .
7 Co 4i 14 Co 4i 2.77 .
7 Co 4i 15 Co 4i 2.66 .
7 Co 4i 16 Co 4i 7.33 .
7 Co 4i 17 Co 4i 5.45 .
7 Co 4i 18 Co 4i 4.52 .
7 Co 4i 19 Co 4i 5.62 .
7 Co 4i 20 Co 4i 2.58 .
7 Co 4i 21 Co 4i 2.62 .
7 Co 4i 22 Co 4i 5.56 .
7 Co 4i 23 N 4i 5.92 .
7 Co 4i 24 N 4i 2.57 .
7 Co 4i 25 N 4i 4.61 .
7 Co 4i 26 N 4i 2.24 .
7 Co 4i 27 N 4i 3.68 .
7 Co 4i 28 N 4i 4.67 .
7 Co 4i 29 N 4i 1.97 .
7 Co 4i 30 N 4i 6.12 .
7 Co 4i 31 N 4i 1.83 .
7 Co 4i 32 N 4i 5.70 .
7 Co 4i 33 N 4i 4.16 .
7 Co 4i 34 N 4i 5.72 .
7 Co 4i 35 N 4i 5.26 .
7 Co 4i 36 N 4i 3.15 .
7 Co 4i 37 N 4i 6.78 .
7 Co 4i 38 N 4i 3.36 .
8 Co 4i 9 Co 4i 2.89 .
8 Co 4i 10 Co 4i 2.69 .
8 Co 4i 11 Co 4i 4.68 .
8 Co 4i 12 Co 4i 2.83 .
8 Co 4i 13 Co 4i 2.76 .
8 Co 4i 14 Co 4i 2.67 .
8 Co 4i 15 Co 4i 4.52 .
8 Co 4i 16 Co 4i 5.45 .
8 Co 4i 17 Co 4i 7.33 .
8 Co 4i 18 Co 4i 5.33 .
8 Co 4i 19 Co 4i 6.24 .
8 Co 4i 20 Co 4i 3.81 .
8 Co 4i 21 Co 4i 4.77 .
8 Co 4i 22 Co 4i 6.38 .
8 Co 4i 23 N 4i 4.28 .
8 Co 4i 24 N 4i 3.49 .
8 Co 4i 25 N 4i 2.03 .
8 Co 4i 26 N 4i 1.95 .
8 Co 4i 27 N 4i 2.09 .
8 Co 4i 28 N 4i 3.56 .
8 Co 4i 29 N 4i 1.85 .
8 Co 4i 30 N 4i 4.43 .
8 Co 4i 31 N 4i 4.43 .
8 Co 4i 32 N 4i 6.10 .
8 Co 4i 33 N 4i 5.75 .
8 Co 4i 34 N 4i 6.98 .
8 Co 4i 35 N 4i 6.57 .
8 Co 4i 36 N 4i 4.24 .
8 Co 4i 37 N 4i 6.02 .
8 Co 4i 38 N 4i 4.28 .
9 Co 4i 10 Co 4i 4.68 .
9 Co 4i 11 Co 4i 2.69 .
9 Co 4i 12 Co 4i 2.76 .
9 Co 4i 13 Co 4i 2.83 .
9 Co 4i 14 Co 4i 4.89 .
9 Co 4i 15 Co 4i 5.45 .
9 Co 4i 16 Co 4i 4.52 .
9 Co 4i 17 Co 4i 5.33 .
9 Co 4i 18 Co 4i 7.33 .
9 Co 4i 19 Co 4i 3.81 .
9 Co 4i 20 Co 4i 6.24 .
9 Co 4i 21 Co 4i 6.38 .
9 Co 4i 22 Co 4i 4.77 .
9 Co 4i 23 N 4i 3.49 .
9 Co 4i 24 N 4i 4.28 .
9 Co 4i 25 N 4i 1.95 .
9 Co 4i 26 N 4i 2.03 .
9 Co 4i 27 N 4i 3.56 .
9 Co 4i 28 N 4i 2.09 .
9 Co 4i 29 N 4i 4.43 .
9 Co 4i 30 N 4i 1.85 .
9 Co 4i 31 N 4i 6.10 .
9 Co 4i 32 N 4i 4.43 .
9 Co 4i 33 N 4i 6.98 .
9 Co 4i 34 N 4i 5.75 .
9 Co 4i 35 N 4i 4.24 .
9 Co 4i 36 N 4i 6.57 .
9 Co 4i 37 N 4i 4.28 .
9 Co 4i 38 N 4i 6.02 .
10 Co 4i 11 Co 4i 4.65 .
10 Co 4i 12 Co 4i 3.54 .
10 Co 4i 13 Co 4i 2.94 .
10 Co 4i 14 Co 4i 2.95 .
10 Co 4i 15 Co 4i 2.58 .
10 Co 4i 16 Co 4i 5.62 .
10 Co 4i 17 Co 4i 6.24 .
10 Co 4i 18 Co 4i 3.81 .
10 Co 4i 19 Co 4i 7.33 .
10 Co 4i 20 Co 4i 2.86 .
10 Co 4i 21 Co 4i 4.99 .
10 Co 4i 22 Co 4i 5.99 .
10 Co 4i 23 N 4i 3.91 .
10 Co 4i 24 N 4i 1.99 .
10 Co 4i 25 N 4i 4.17 .
10 Co 4i 26 N 4i 3.37 .
10 Co 4i 27 N 4i 2.06 .
10 Co 4i 28 N 4i 4.09 .
10 Co 4i 29 N 4i 2.07 .
10 Co 4i 30 N 4i 6.03 .
10 Co 4i 31 N 4i 3.77 .
10 Co 4i 32 N 4i 6.73 .
10 Co 4i 33 N 4i 4.37 .
10 Co 4i 34 N 4i 5.84 .
10 Co 4i 35 N 4i 6.40 .
10 Co 4i 36 N 4i 4.50 .
10 Co 4i 37 N 4i 6.24 .
10 Co 4i 38 N 4i 1.96 .
11 Co 4i 12 Co 4i 2.94 .
11 Co 4i 13 Co 4i 3.54 .
11 Co 4i 14 Co 4i 5.93 .
11 Co 4i 15 Co 4i 5.62 .
11 Co 4i 16 Co 4i 2.58 .
11 Co 4i 17 Co 4i 3.81 .
11 Co 4i 18 Co 4i 6.24 .
11 Co 4i 19 Co 4i 2.86 .
11 Co 4i 20 Co 4i 7.33 .
11 Co 4i 21 Co 4i 5.99 .
11 Co 4i 22 Co 4i 4.99 .
11 Co 4i 23 N 4i 1.99 .
11 Co 4i 24 N 4i 3.91 .
11 Co 4i 25 N 4i 3.37 .
11 Co 4i 26 N 4i 4.17 .
11 Co 4i 27 N 4i 4.09 .
11 Co 4i 28 N 4i 2.06 .
11 Co 4i 29 N 4i 6.03 .
11 Co 4i 30 N 4i 2.07 .
11 Co 4i 31 N 4i 6.73 .
11 Co 4i 32 N 4i 3.77 .
11 Co 4i 33 N 4i 5.84 .
11 Co 4i 34 N 4i 4.37 .
11 Co 4i 35 N 4i 4.50 .
11 Co 4i 36 N 4i 6.40 .
11 Co 4i 37 N 4i 1.96 .
11 Co 4i 38 N 4i 6.24 .
12 Co 4i 13 Co 4i 4.55 .
12 Co 4i 14 Co 4i 5.49 .
12 Co 4i 15 Co 4i 5.56 .
12 Co 4i 16 Co 4i 2.62 .
12 Co 4i 17 Co 4i 4.77 .
12 Co 4i 18 Co 4i 6.38 .
12 Co 4i 19 Co 4i 4.99 .
12 Co 4i 20 Co 4i 5.99 .
12 Co 4i 21 Co 4i 7.33 .
12 Co 4i 22 Co 4i 4.13 .
12 Co 4i 23 N 4i 1.85 .
12 Co 4i 24 N 4i 3.91 .
12 Co 4i 25 N 4i 1.94 .
12 Co 4i 26 N 4i 3.38 .
12 Co 4i 27 N 4i 4.08 .
12 Co 4i 28 N 4i 1.96 .
12 Co 4i 29 N 4i 4.26 .
12 Co 4i 30 N 4i 3.49 .
12 Co 4i 31 N 4i 6.56 .
12 Co 4i 32 N 4i 4.59 .
12 Co 4i 33 N 4i 6.58 .
12 Co 4i 34 N 4i 4.44 .
12 Co 4i 35 N 4i 4.52 .
12 Co 4i 36 N 4i 6.93 .
12 Co 4i 37 N 4i 3.47 .
12 Co 4i 38 N 4i 5.49 .
13 Co 4i 14 Co 4i 2.84 .
13 Co 4i 15 Co 4i 2.62 .
13 Co 4i 16 Co 4i 5.56 .
13 Co 4i 17 Co 4i 6.38 .
13 Co 4i 18 Co 4i 4.77 .
13 Co 4i 19 Co 4i 5.99 .
13 Co 4i 20 Co 4i 4.99 .
13 Co 4i 21 Co 4i 4.13 .
13 Co 4i 22 Co 4i 7.33 .
13 Co 4i 23 N 4i 3.91 .
13 Co 4i 24 N 4i 1.85 .
13 Co 4i 25 N 4i 3.38 .
13 Co 4i 26 N 4i 1.94 .
13 Co 4i 27 N 4i 1.96 .
13 Co 4i 28 N 4i 4.08 .
13 Co 4i 29 N 4i 3.49 .
13 Co 4i 30 N 4i 4.26 .
13 Co 4i 31 N 4i 4.59 .
13 Co 4i 32 N 4i 6.56 .
13 Co 4i 33 N 4i 4.44 .
13 Co 4i 34 N 4i 6.58 .
13 Co 4i 35 N 4i 6.93 .
13 Co 4i 36 N 4i 4.52 .
13 Co 4i 37 N 4i 5.49 .
13 Co 4i 38 N 4i 3.47 .
14 Co 4i 15 Co 4i 2.77 .
14 Co 4i 16 Co 4i 6.45 .
14 Co 4i 17 Co 4i 4.89 .
14 Co 4i 18 Co 4i 2.67 .
14 Co 4i 19 Co 4i 5.93 .
14 Co 4i 20 Co 4i 2.95 .
14 Co 4i 21 Co 4i 2.84 .
14 Co 4i 22 Co 4i 5.49 .
14 Co 4i 23 N 4i 5.45 .
14 Co 4i 24 N 4i 3.44 .
14 Co 4i 25 N 4i 4.40 .
14 Co 4i 26 N 4i 3.36 .
14 Co 4i 27 N 4i 2.01 .
14 Co 4i 28 N 4i 5.97 .
14 Co 4i 29 N 4i 2.01 .
14 Co 4i 30 N 4i 6.46 .
14 Co 4i 31 N 4i 3.44 .
14 Co 4i 32 N 4i 5.45 .
14 Co 4i 33 N 4i 3.36 .
14 Co 4i 34 N 4i 4.40 .
14 Co 4i 35 N 4i 5.97 .
14 Co 4i 36 N 4i 2.01 .
14 Co 4i 37 N 4i 6.46 .
14 Co 4i 38 N 4i 2.01 .
15 Co 4i 16 Co 4i 6.70 .
15 Co 4i 17 Co 4i 4.27 .
15 Co 4i 18 Co 4i 2.90 .
15 Co 4i 19 Co 4i 5.96 .
15 Co 4i 20 Co 4i 2.93 .
15 Co 4i 21 Co 4i 3.07 .
15 Co 4i 22 Co 4i 4.95 .
15 Co 4i 23 N 4i 5.70 .
15 Co 4i 24 N 4i 1.83 .
15 Co 4i 25 N 4i 5.72 .
15 Co 4i 26 N 4i 4.16 .
15 Co 4i 27 N 4i 3.15 .
15 Co 4i 28 N 4i 5.26 .
15 Co 4i 29 N 4i 3.36 .
15 Co 4i 30 N 4i 6.78 .
15 Co 4i 31 N 4i 2.57 .
15 Co 4i 32 N 4i 5.92 .
15 Co 4i 33 N 4i 2.24 .
15 Co 4i 34 N 4i 4.61 .
15 Co 4i 35 N 4i 4.67 .
15 Co 4i 36 N 4i 3.68 .
15 Co 4i 37 N 4i 6.12 .
15 Co 4i 38 N 4i 1.97 .
16 Co 4i 17 Co 4i 2.90 .
16 Co 4i 18 Co 4i 4.27 .
16 Co 4i 19 Co 4i 2.93 .
16 Co 4i 20 Co 4i 5.96 .
16 Co 4i 21 Co 4i 4.95 .
16 Co 4i 22 Co 4i 3.07 .
16 Co 4i 23 N 4i 1.83 .
16 Co 4i 24 N 4i 5.70 .
16 Co 4i 25 N 4i 4.16 .
16 Co 4i 26 N 4i 5.72 .
16 Co 4i 27 N 4i 5.26 .
16 Co 4i 28 N 4i 3.15 .
16 Co 4i 29 N 4i 6.78 .
16 Co 4i 30 N 4i 3.36 .
16 Co 4i 31 N 4i 5.92 .
16 Co 4i 32 N 4i 2.57 .
16 Co 4i 33 N 4i 4.61 .
16 Co 4i 34 N 4i 2.24 .
16 Co 4i 35 N 4i 3.68 .
16 Co 4i 36 N 4i 4.67 .
16 Co 4i 37 N 4i 1.97 .
16 Co 4i 38 N 4i 6.12 .
17 Co 4i 18 Co 4i 2.89 .
17 Co 4i 19 Co 4i 2.69 .
17 Co 4i 20 Co 4i 4.68 .
17 Co 4i 21 Co 4i 2.83 .
17 Co 4i 22 Co 4i 2.76 .
17 Co 4i 23 N 4i 4.43 .
17 Co 4i 24 N 4i 6.10 .
17 Co 4i 25 N 4i 5.75 .
17 Co 4i 26 N 4i 6.98 .
17 Co 4i 27 N 4i 6.57 .
17 Co 4i 28 N 4i 4.24 .
17 Co 4i 29 N 4i 6.02 .
17 Co 4i 30 N 4i 4.28 .
17 Co 4i 31 N 4i 4.28 .
17 Co 4i 32 N 4i 3.49 .
17 Co 4i 33 N 4i 2.03 .
17 Co 4i 34 N 4i 1.95 .
17 Co 4i 35 N 4i 2.09 .
17 Co 4i 36 N 4i 3.56 .
17 Co 4i 37 N 4i 1.85 .
17 Co 4i 38 N 4i 4.43 .
18 Co 4i 19 Co 4i 4.68 .
18 Co 4i 20 Co 4i 2.69 .
18 Co 4i 21 Co 4i 2.76 .
18 Co 4i 22 Co 4i 2.83 .
18 Co 4i 23 N 4i 6.10 .
18 Co 4i 24 N 4i 4.43 .
18 Co 4i 25 N 4i 6.98 .
18 Co 4i 26 N 4i 5.75 .
18 Co 4i 27 N 4i 4.24 .
18 Co 4i 28 N 4i 6.57 .
18 Co 4i 29 N 4i 4.28 .
18 Co 4i 30 N 4i 6.02 .
18 Co 4i 31 N 4i 3.49 .
18 Co 4i 32 N 4i 4.28 .
18 Co 4i 33 N 4i 1.95 .
18 Co 4i 34 N 4i 2.03 .
18 Co 4i 35 N 4i 3.56 .
18 Co 4i 36 N 4i 2.09 .
18 Co 4i 37 N 4i 4.43 .
18 Co 4i 38 N 4i 1.85 .
19 Co 4i 20 Co 4i 4.65 .
19 Co 4i 21 Co 4i 3.54 .
19 Co 4i 22 Co 4i 2.94 .
19 Co 4i 23 N 4i 3.77 .
19 Co 4i 24 N 4i 6.73 .
19 Co 4i 25 N 4i 4.37 .
19 Co 4i 26 N 4i 5.84 .
19 Co 4i 27 N 4i 6.40 .
19 Co 4i 28 N 4i 4.50 .
19 Co 4i 29 N 4i 6.24 .
19 Co 4i 30 N 4i 1.96 .
19 Co 4i 31 N 4i 3.91 .
19 Co 4i 32 N 4i 1.99 .
19 Co 4i 33 N 4i 4.17 .
19 Co 4i 34 N 4i 3.37 .
19 Co 4i 35 N 4i 2.06 .
19 Co 4i 36 N 4i 4.09 .
19 Co 4i 37 N 4i 2.07 .
19 Co 4i 38 N 4i 6.03 .
20 Co 4i 21 Co 4i 2.94 .
20 Co 4i 22 Co 4i 3.54 .
20 Co 4i 23 N 4i 6.73 .
20 Co 4i 24 N 4i 3.77 .
20 Co 4i 25 N 4i 5.84 .
20 Co 4i 26 N 4i 4.37 .
20 Co 4i 27 N 4i 4.50 .
20 Co 4i 28 N 4i 6.40 .
20 Co 4i 29 N 4i 1.96 .
20 Co 4i 30 N 4i 6.24 .
20 Co 4i 31 N 4i 1.99 .
20 Co 4i 32 N 4i 3.91 .
20 Co 4i 33 N 4i 3.37 .
20 Co 4i 34 N 4i 4.17 .
20 Co 4i 35 N 4i 4.09 .
20 Co 4i 36 N 4i 2.06 .
20 Co 4i 37 N 4i 6.03 .
20 Co 4i 38 N 4i 2.07 .
21 Co 4i 22 Co 4i 4.55 .
21 Co 4i 23 N 4i 6.56 .
21 Co 4i 24 N 4i 4.59 .
21 Co 4i 25 N 4i 6.58 .
21 Co 4i 26 N 4i 4.44 .
21 Co 4i 27 N 4i 4.52 .
21 Co 4i 28 N 4i 6.93 .
21 Co 4i 29 N 4i 3.47 .
21 Co 4i 30 N 4i 5.49 .
21 Co 4i 31 N 4i 1.85 .
21 Co 4i 32 N 4i 3.91 .
21 Co 4i 33 N 4i 1.94 .
21 Co 4i 34 N 4i 3.38 .
21 Co 4i 35 N 4i 4.08 .
21 Co 4i 36 N 4i 1.96 .
21 Co 4i 37 N 4i 4.26 .
21 Co 4i 38 N 4i 3.49 .
22 Co 4i 23 N 4i 4.59 .
22 Co 4i 24 N 4i 6.56 .
22 Co 4i 25 N 4i 4.44 .
22 Co 4i 26 N 4i 6.58 .
22 Co 4i 27 N 4i 6.93 .
22 Co 4i 28 N 4i 4.52 .
22 Co 4i 29 N 4i 5.49 .
22 Co 4i 30 N 4i 3.47 .
22 Co 4i 31 N 4i 3.91 .
22 Co 4i 32 N 4i 1.85 .
22 Co 4i 33 N 4i 3.38 .
22 Co 4i 34 N 4i 1.94 .
22 Co 4i 35 N 4i 1.96 .
22 Co 4i 36 N 4i 4.08 .
22 Co 4i 37 N 4i 3.49 .
22 Co 4i 38 N 4i 4.26 .
23 N 4i 24 N 4i 4.10 .
23 N 4i 25 N 4i 2.94 .
23 N 4i 26 N 4i 4.63 .
23 N 4i 27 N 4i 3.44 .
23 N 4i 28 N 4i 2.60 .
23 N 4i 29 N 4i 5.34 .
23 N 4i 30 N 4i 3.12 .
23 N 4i 31 N 4i 7.33 .
23 N 4i 32 N 4i 3.59 .
23 N 4i 33 N 4i 6.32 .
23 N 4i 34 N 4i 4.07 .
23 N 4i 35 N 4i 4.99 .
23 N 4i 36 N 4i 6.37 .
23 N 4i 37 N 4i 2.89 .
23 N 4i 38 N 4i 5.65 .
24 N 4i 25 N 4i 4.63 .
24 N 4i 26 N 4i 2.94 .
24 N 4i 27 N 4i 2.60 .
24 N 4i 28 N 4i 3.44 .
24 N 4i 29 N 4i 3.12 .
24 N 4i 30 N 4i 5.34 .
24 N 4i 31 N 4i 3.59 .
24 N 4i 32 N 4i 7.33 .
24 N 4i 33 N 4i 4.07 .
24 N 4i 34 N 4i 6.32 .
24 N 4i 35 N 4i 6.37 .
24 N 4i 36 N 4i 4.99 .
24 N 4i 37 N 4i 5.65 .
24 N 4i 38 N 4i 2.89 .
25 N 4i 26 N 4i 2.75 .
25 N 4i 27 N 4i 2.91 .
25 N 4i 28 N 4i 2.86 .
25 N 4i 29 N 4i 3.88 .
25 N 4i 30 N 4i 2.76 .
25 N 4i 31 N 4i 6.32 .
25 N 4i 32 N 4i 4.07 .
25 N 4i 33 N 4i 7.33 .
25 N 4i 34 N 4i 5.47 .
25 N 4i 35 N 4i 4.75 .
25 N 4i 36 N 4i 6.18 .
25 N 4i 37 N 4i 4.78 .
25 N 4i 38 N 4i 5.63 .
26 N 4i 27 N 4i 2.86 .
26 N 4i 28 N 4i 2.91 .
26 N 4i 29 N 4i 2.76 .
26 N 4i 30 N 4i 3.88 .
26 N 4i 31 N 4i 4.07 .
26 N 4i 32 N 4i 6.32 .
26 N 4i 33 N 4i 5.47 .
26 N 4i 34 N 4i 7.33 .
26 N 4i 35 N 4i 6.18 .
26 N 4i 36 N 4i 4.75 .
26 N 4i 37 N 4i 5.63 .
26 N 4i 38 N 4i 4.78 .
27 N 4i 28 N 4i 4.51 .
27 N 4i 29 N 4i 2.96 .
27 N 4i 30 N 4i 4.80 .
27 N 4i 31 N 4i 4.99 .
27 N 4i 32 N 4i 6.37 .
27 N 4i 33 N 4i 4.75 .
27 N 4i 34 N 4i 6.18 .
27 N 4i 35 N 4i 7.33 .
27 N 4i 36 N 4i 4.02 .
27 N 4i 37 N 4i 5.88 .
27 N 4i 38 N 4i 2.73 .
28 N 4i 29 N 4i 4.80 .
28 N 4i 30 N 4i 2.96 .
28 N 4i 31 N 4i 6.37 .
28 N 4i 32 N 4i 4.99 .
28 N 4i 33 N 4i 6.18 .
28 N 4i 34 N 4i 4.75 .
28 N 4i 35 N 4i 4.02 .
28 N 4i 36 N 4i 7.33 .
28 N 4i 37 N 4i 2.73 .
28 N 4i 38 N 4i 5.88 .
29 N 4i 30 N 4i 6.15 .
29 N 4i 31 N 4i 2.89 .
29 N 4i 32 N 4i 5.65 .
29 N 4i 33 N 4i 4.78 .
29 N 4i 34 N 4i 5.63 .
29 N 4i 35 N 4i 5.88 .
29 N 4i 36 N 4i 2.73 .
29 N 4i 37 N 4i 7.33 .
29 N 4i 38 N 4i 2.84 .
30 N 4i 31 N 4i 5.65 .
30 N 4i 32 N 4i 2.89 .
30 N 4i 33 N 4i 5.63 .
30 N 4i 34 N 4i 4.78 .
30 N 4i 35 N 4i 2.73 .
30 N 4i 36 N 4i 5.88 .
30 N 4i 37 N 4i 2.84 .
30 N 4i 38 N 4i 7.33 .
31 N 4i 32 N 4i 4.10 .
31 N 4i 33 N 4i 2.94 .
31 N 4i 34 N 4i 4.63 .
31 N 4i 35 N 4i 3.44 .
31 N 4i 36 N 4i 2.60 .
31 N 4i 37 N 4i 5.34 .
31 N 4i 38 N 4i 3.12 .
32 N 4i 33 N 4i 4.63 .
32 N 4i 34 N 4i 2.94 .
32 N 4i 35 N 4i 2.60 .
32 N 4i 36 N 4i 3.44 .
32 N 4i 37 N 4i 3.12 .
32 N 4i 38 N 4i 5.34 .
33 N 4i 34 N 4i 2.75 .
33 N 4i 35 N 4i 2.91 .
33 N 4i 36 N 4i 2.86 .
33 N 4i 37 N 4i 3.88 .
33 N 4i 38 N 4i 2.76 .
34 N 4i 35 N 4i 2.86 .
34 N 4i 36 N 4i 2.91 .
34 N 4i 37 N 4i 2.76 .
34 N 4i 38 N 4i 3.88 .
35 N 4i 36 N 4i 4.51 .
35 N 4i 37 N 4i 2.96 .
35 N 4i 38 N 4i 4.80 .
36 N 4i 37 N 4i 4.80 .
36 N 4i 38 N 4i 2.96 .
37 N 4i 38 N 4i 6.15 .
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-1247229
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