Material:

Mn3(CoN)8

ID:

MMD-2693

Explore database:

Compounds with the same formula: Mn3(CoN)8 (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

Mn3(CoN)8

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)

14.1516

b (Å)

3.9528

c (Å)

6.5103

α (deg.)

90.000

β (deg.)

108.305

γ (deg.)

90.000

Volume (Å3)

345.743

Density (g/cm3)

7.188

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

157.6 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: Mn3(CoN)8

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

8.07 μB/cell

Averaged magnetic moment

0.21 μB/atom

Magnetic polarization, Js = μ0Ms

0.27 T (= 214.9 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 2d 0.000000 0.500000 0.500000 2.47 . .
2 Mn 2d 0.780537 0.000000 0.815722 1.19 . .
3 Mn 4i 0.719463 0.500000 0.184278 1.19 . .
4 Mn 4i 0.500000 0.000000 0.500000 2.47 . .
5 Mn 4i 0.280537 0.500000 0.815722 1.19 . .
6 Mn 4i 0.219463 0.000000 0.184278 1.19 . .
7 Co 4i 0.977103 0.000000 0.785415 0.05 . .
8 Co 4i 0.522897 0.500000 0.214585 0.05 . .
9 Co 4i 0.676848 0.000000 0.423201 -0.35 . .
10 Co 4i 0.823152 0.500000 0.576799 -0.35 . .
11 Co 4i 0.592354 0.000000 0.973129 -0.16 . .
12 Co 4i 0.907646 0.500000 0.026871 -0.16 . .
13 Co 4i 0.854377 0.000000 0.310891 -0.22 . .
14 Co 4i 0.645623 0.500000 0.689109 -0.22 . .
15 Co 4i 0.477103 0.500000 0.785415 0.05 . .
16 Co 4i 0.022897 0.000000 0.214585 0.05 . .
17 Co 4i 0.176848 0.500000 0.423201 -0.35 . .
18 Co 4i 0.323152 0.000000 0.576799 -0.35 . .
19 Co 4i 0.092354 0.500000 0.973129 -0.16 . .
20 Co 4i 0.407646 0.000000 0.026871 -0.16 . .
21 Co 4i 0.354377 0.500000 0.310891 -0.22 . .
22 Co 4i 0.145623 0.000000 0.689109 -0.22 . .
23 N 4i 0.889074 0.000000 0.055420 -0.03 . .
24 N 4i 0.610926 0.500000 0.944580 -0.03 . .
25 N 4i 0.823243 0.000000 0.583688 -0.03 . .
26 N 4i 0.676757 0.500000 0.416312 -0.03 . .
27 N 4i 0.642307 0.000000 0.708701 -0.06 . .
28 N 4i 0.857693 0.500000 0.291299 -0.06 . .
29 N 4i 0.545658 0.000000 0.233028 -0.03 . .
30 N 4i 0.954342 0.500000 0.766972 -0.03 . .
31 N 4i 0.389074 0.500000 0.055420 -0.03 . .
32 N 4i 0.110926 0.000000 0.944580 -0.03 . .
33 N 4i 0.323243 0.500000 0.583688 -0.03 . .
34 N 4i 0.176757 0.000000 0.416312 -0.03 . .
35 N 4i 0.142307 0.500000 0.708701 -0.06 . .
36 N 4i 0.357693 0.000000 0.291299 -0.06 . .
37 N 4i 0.045658 0.500000 0.233028 -0.03 . .
38 N 4i 0.454342 0.000000 0.766972 -0.03 . .
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 2d 2 Mn 2d 4.67 .
1 Mn 2d 3 Mn 4i 3.85 .
1 Mn 2d 4 Mn 4i 7.35 .
1 Mn 2d 5 Mn 4i 3.85 .
1 Mn 2d 6 Mn 4i 4.67 .
1 Mn 2d 7 Co 4i 2.80 .
1 Mn 2d 8 Co 4i 6.42 .
1 Mn 2d 9 Co 4i 4.86 .
1 Mn 2d 10 Co 4i 2.70 .
1 Mn 2d 11 Co 4i 6.04 .
1 Mn 2d 12 Co 4i 2.94 .
1 Mn 2d 13 Co 4i 2.84 .
1 Mn 2d 14 Co 4i 5.53 .
1 Mn 2d 15 Co 4i 6.42 .
1 Mn 2d 16 Co 4i 2.80 .
1 Mn 2d 17 Co 4i 2.70 .
1 Mn 2d 18 Co 4i 4.86 .
1 Mn 2d 19 Co 4i 2.94 .
1 Mn 2d 20 Co 4i 6.04 .
1 Mn 2d 21 Co 4i 5.53 .
1 Mn 2d 22 Co 4i 2.84 .
1 Mn 2d 23 N 4i 3.45 .
1 Mn 2d 24 N 4i 5.56 .
1 Mn 2d 25 N 4i 3.36 .
1 Mn 2d 26 N 4i 4.43 .
1 Mn 2d 27 N 4i 5.97 .
1 Mn 2d 28 N 4i 2.05 .
1 Mn 2d 29 N 4i 6.42 .
1 Mn 2d 30 N 4i 2.04 .
1 Mn 2d 31 N 4i 5.56 .
1 Mn 2d 32 N 4i 3.45 .
1 Mn 2d 33 N 4i 4.43 .
1 Mn 2d 34 N 4i 3.36 .
1 Mn 2d 35 N 4i 2.05 .
1 Mn 2d 36 N 4i 5.97 .
1 Mn 2d 37 N 4i 2.04 .
1 Mn 2d 38 N 4i 6.42 .
2 Mn 2d 3 Mn 4i 3.42 .
2 Mn 2d 4 Mn 4i 3.85 .
2 Mn 2d 5 Mn 4i 7.35 .
2 Mn 2d 6 Mn 4i 5.91 .
2 Mn 2d 7 Co 4i 2.85 .
2 Mn 2d 8 Co 4i 4.85 .
2 Mn 2d 9 Co 4i 2.52 .
2 Mn 2d 10 Co 4i 2.70 .
2 Mn 2d 11 Co 4i 3.14 .
2 Mn 2d 12 Co 4i 2.73 .
2 Mn 2d 13 Co 4i 3.06 .
2 Mn 2d 14 Co 4i 2.69 .
2 Mn 2d 15 Co 4i 4.67 .
2 Mn 2d 16 Co 4i 3.59 .
2 Mn 2d 17 Co 4i 6.09 .
2 Mn 2d 18 Co 4i 6.16 .
2 Mn 2d 19 Co 4i 4.65 .
2 Mn 2d 20 Co 4i 5.86 .
2 Mn 2d 21 Co 4i 6.22 .
2 Mn 2d 22 Co 4i 5.48 .
2 Mn 2d 23 N 4i 1.81 .
2 Mn 2d 24 N 4i 3.41 .
2 Mn 2d 25 N 4i 1.79 .
2 Mn 2d 26 N 4i 3.23 .
2 Mn 2d 27 N 4i 1.86 .
2 Mn 2d 28 N 4i 3.54 .
2 Mn 2d 29 N 4i 4.19 .
2 Mn 2d 30 N 4i 3.25 .
2 Mn 2d 31 N 4i 6.47 .
2 Mn 2d 32 N 4i 4.48 .
2 Mn 2d 33 N 4i 6.48 .
2 Mn 2d 34 N 4i 5.74 .
2 Mn 2d 35 N 4i 5.73 .
2 Mn 2d 36 N 4i 5.88 .
2 Mn 2d 37 N 4i 4.35 .
2 Mn 2d 38 N 4i 4.53 .
3 Mn 4i 4 Mn 4i 4.67 .
3 Mn 4i 5 Mn 4i 5.91 .
3 Mn 4i 6 Mn 4i 7.35 .
3 Mn 4i 7 Co 4i 4.85 .
3 Mn 4i 8 Co 4i 2.85 .
3 Mn 4i 9 Co 4i 2.70 .
3 Mn 4i 10 Co 4i 2.52 .
3 Mn 4i 11 Co 4i 2.73 .
3 Mn 4i 12 Co 4i 3.14 .
3 Mn 4i 13 Co 4i 2.69 .
3 Mn 4i 14 Co 4i 3.06 .
3 Mn 4i 15 Co 4i 3.59 .
3 Mn 4i 16 Co 4i 4.67 .
3 Mn 4i 17 Co 4i 6.16 .
3 Mn 4i 18 Co 4i 6.09 .
3 Mn 4i 19 Co 4i 5.86 .
3 Mn 4i 20 Co 4i 4.65 .
3 Mn 4i 21 Co 4i 5.48 .
3 Mn 4i 22 Co 4i 6.22 .
3 Mn 4i 23 N 4i 3.41 .
3 Mn 4i 24 N 4i 1.81 .
3 Mn 4i 25 N 4i 3.23 .
3 Mn 4i 26 N 4i 1.79 .
3 Mn 4i 27 N 4i 3.54 .
3 Mn 4i 28 N 4i 1.86 .
3 Mn 4i 29 N 4i 3.25 .
3 Mn 4i 30 N 4i 4.19 .
3 Mn 4i 31 N 4i 4.48 .
3 Mn 4i 32 N 4i 6.47 .
3 Mn 4i 33 N 4i 5.74 .
3 Mn 4i 34 N 4i 6.48 .
3 Mn 4i 35 N 4i 5.88 .
3 Mn 4i 36 N 4i 5.73 .
3 Mn 4i 37 N 4i 4.53 .
3 Mn 4i 38 N 4i 4.35 .
4 Mn 4i 5 Mn 4i 4.67 .
4 Mn 4i 6 Mn 4i 3.85 .
4 Mn 4i 7 Co 4i 6.42 .
4 Mn 4i 8 Co 4i 2.80 .
4 Mn 4i 9 Co 4i 2.70 .
4 Mn 4i 10 Co 4i 4.86 .
4 Mn 4i 11 Co 4i 2.94 .
4 Mn 4i 12 Co 4i 6.04 .
4 Mn 4i 13 Co 4i 5.53 .
4 Mn 4i 14 Co 4i 2.84 .
4 Mn 4i 15 Co 4i 2.80 .
4 Mn 4i 16 Co 4i 6.42 .
4 Mn 4i 17 Co 4i 4.86 .
4 Mn 4i 18 Co 4i 2.70 .
4 Mn 4i 19 Co 4i 6.04 .
4 Mn 4i 20 Co 4i 2.94 .
4 Mn 4i 21 Co 4i 2.84 .
4 Mn 4i 22 Co 4i 5.53 .
4 Mn 4i 23 N 4i 5.56 .
4 Mn 4i 24 N 4i 3.45 .
4 Mn 4i 25 N 4i 4.43 .
4 Mn 4i 26 N 4i 3.36 .
4 Mn 4i 27 N 4i 2.05 .
4 Mn 4i 28 N 4i 5.97 .
4 Mn 4i 29 N 4i 2.04 .
4 Mn 4i 30 N 4i 6.42 .
4 Mn 4i 31 N 4i 3.45 .
4 Mn 4i 32 N 4i 5.56 .
4 Mn 4i 33 N 4i 3.36 .
4 Mn 4i 34 N 4i 4.43 .
4 Mn 4i 35 N 4i 5.97 .
4 Mn 4i 36 N 4i 2.05 .
4 Mn 4i 37 N 4i 6.42 .
4 Mn 4i 38 N 4i 2.04 .
5 Mn 4i 6 Mn 4i 3.42 .
5 Mn 4i 7 Co 4i 4.67 .
5 Mn 4i 8 Co 4i 3.59 .
5 Mn 4i 9 Co 4i 6.09 .
5 Mn 4i 10 Co 4i 6.16 .
5 Mn 4i 11 Co 4i 4.65 .
5 Mn 4i 12 Co 4i 5.86 .
5 Mn 4i 13 Co 4i 6.22 .
5 Mn 4i 14 Co 4i 5.48 .
5 Mn 4i 15 Co 4i 2.85 .
5 Mn 4i 16 Co 4i 4.85 .
5 Mn 4i 17 Co 4i 2.52 .
5 Mn 4i 18 Co 4i 2.70 .
5 Mn 4i 19 Co 4i 3.14 .
5 Mn 4i 20 Co 4i 2.73 .
5 Mn 4i 21 Co 4i 3.06 .
5 Mn 4i 22 Co 4i 2.69 .
5 Mn 4i 23 N 4i 6.47 .
5 Mn 4i 24 N 4i 4.48 .
5 Mn 4i 25 N 4i 6.48 .
5 Mn 4i 26 N 4i 5.74 .
5 Mn 4i 27 N 4i 5.73 .
5 Mn 4i 28 N 4i 5.88 .
5 Mn 4i 29 N 4i 4.35 .
5 Mn 4i 30 N 4i 4.53 .
5 Mn 4i 31 N 4i 1.81 .
5 Mn 4i 32 N 4i 3.41 .
5 Mn 4i 33 N 4i 1.79 .
5 Mn 4i 34 N 4i 3.23 .
5 Mn 4i 35 N 4i 1.86 .
5 Mn 4i 36 N 4i 3.54 .
5 Mn 4i 37 N 4i 4.19 .
5 Mn 4i 38 N 4i 3.25 .
6 Mn 4i 7 Co 4i 3.59 .
6 Mn 4i 8 Co 4i 4.67 .
6 Mn 4i 9 Co 4i 6.16 .
6 Mn 4i 10 Co 4i 6.09 .
6 Mn 4i 11 Co 4i 5.86 .
6 Mn 4i 12 Co 4i 4.65 .
6 Mn 4i 13 Co 4i 5.48 .
6 Mn 4i 14 Co 4i 6.22 .
6 Mn 4i 15 Co 4i 4.85 .
6 Mn 4i 16 Co 4i 2.85 .
6 Mn 4i 17 Co 4i 2.70 .
6 Mn 4i 18 Co 4i 2.52 .
6 Mn 4i 19 Co 4i 2.73 .
6 Mn 4i 20 Co 4i 3.14 .
6 Mn 4i 21 Co 4i 2.69 .
6 Mn 4i 22 Co 4i 3.06 .
6 Mn 4i 23 N 4i 4.48 .
6 Mn 4i 24 N 4i 6.47 .
6 Mn 4i 25 N 4i 5.74 .
6 Mn 4i 26 N 4i 6.48 .
6 Mn 4i 27 N 4i 5.88 .
6 Mn 4i 28 N 4i 5.73 .
6 Mn 4i 29 N 4i 4.53 .
6 Mn 4i 30 N 4i 4.35 .
6 Mn 4i 31 N 4i 3.41 .
6 Mn 4i 32 N 4i 1.81 .
6 Mn 4i 33 N 4i 3.23 .
6 Mn 4i 34 N 4i 1.79 .
6 Mn 4i 35 N 4i 3.54 .
6 Mn 4i 36 N 4i 1.86 .
6 Mn 4i 37 N 4i 3.25 .
6 Mn 4i 38 N 4i 4.19 .
7 Co 4i 8 Co 4i 6.64 .
7 Co 4i 9 Co 4i 4.16 .
7 Co 4i 10 Co 4i 2.94 .
7 Co 4i 11 Co 4i 5.94 .
7 Co 4i 12 Co 4i 2.88 .
7 Co 4i 13 Co 4i 3.03 .
7 Co 4i 14 Co 4i 4.95 .
7 Co 4i 15 Co 4i 7.35 .
7 Co 4i 16 Co 4i 2.66 .
7 Co 4i 17 Co 4i 4.65 .
7 Co 4i 18 Co 4i 5.48 .
7 Co 4i 19 Co 4i 2.61 .
7 Co 4i 20 Co 4i 5.79 .
7 Co 4i 21 Co 4i 5.71 .
7 Co 4i 22 Co 4i 2.65 .
7 Co 4i 23 N 4i 2.45 .
7 Co 4i 24 N 4i 5.93 .
7 Co 4i 25 N 4i 2.16 .
7 Co 4i 26 N 4i 4.62 .
7 Co 4i 27 N 4i 4.61 .
7 Co 4i 28 N 4i 3.70 .
7 Co 4i 29 N 4i 6.03 .
7 Co 4i 30 N 4i 2.00 .
7 Co 4i 31 N 4i 5.88 .
7 Co 4i 32 N 4i 1.85 .
7 Co 4i 33 N 4i 5.80 .
7 Co 4i 34 N 4i 4.19 .
7 Co 4i 35 N 4i 3.22 .
7 Co 4i 36 N 4i 5.36 .
7 Co 4i 37 N 4i 3.40 .
7 Co 4i 38 N 4i 6.79 .
8 Co 4i 9 Co 4i 2.94 .
8 Co 4i 10 Co 4i 4.16 .
8 Co 4i 11 Co 4i 2.88 .
8 Co 4i 12 Co 4i 5.94 .
8 Co 4i 13 Co 4i 4.95 .
8 Co 4i 14 Co 4i 3.03 .
8 Co 4i 15 Co 4i 2.66 .
8 Co 4i 16 Co 4i 7.35 .
8 Co 4i 17 Co 4i 5.48 .
8 Co 4i 18 Co 4i 4.65 .
8 Co 4i 19 Co 4i 5.79 .
8 Co 4i 20 Co 4i 2.61 .
8 Co 4i 21 Co 4i 2.65 .
8 Co 4i 22 Co 4i 5.71 .
8 Co 4i 23 N 4i 5.93 .
8 Co 4i 24 N 4i 2.45 .
8 Co 4i 25 N 4i 4.62 .
8 Co 4i 26 N 4i 2.16 .
8 Co 4i 27 N 4i 3.70 .
8 Co 4i 28 N 4i 4.61 .
8 Co 4i 29 N 4i 2.00 .
8 Co 4i 30 N 4i 6.03 .
8 Co 4i 31 N 4i 1.85 .
8 Co 4i 32 N 4i 5.88 .
8 Co 4i 33 N 4i 4.19 .
8 Co 4i 34 N 4i 5.80 .
8 Co 4i 35 N 4i 5.36 .
8 Co 4i 36 N 4i 3.22 .
8 Co 4i 37 N 4i 6.79 .
8 Co 4i 38 N 4i 3.40 .
9 Co 4i 10 Co 4i 2.81 .
9 Co 4i 11 Co 4i 2.80 .
9 Co 4i 12 Co 4i 4.69 .
9 Co 4i 13 Co 4i 2.83 .
9 Co 4i 14 Co 4i 2.75 .
9 Co 4i 15 Co 4i 4.65 .
9 Co 4i 16 Co 4i 5.48 .
9 Co 4i 17 Co 4i 7.35 .
9 Co 4i 18 Co 4i 5.40 .
9 Co 4i 19 Co 4i 6.17 .
9 Co 4i 20 Co 4i 3.87 .
9 Co 4i 21 Co 4i 4.81 .
9 Co 4i 22 Co 4i 6.31 .
9 Co 4i 23 N 4i 4.27 .
9 Co 4i 24 N 4i 3.56 .
9 Co 4i 25 N 4i 2.01 .
9 Co 4i 26 N 4i 1.98 .
9 Co 4i 27 N 4i 2.07 .
9 Co 4i 28 N 4i 3.55 .
9 Co 4i 29 N 4i 1.88 .
9 Co 4i 30 N 4i 4.34 .
9 Co 4i 31 N 4i 4.48 .
9 Co 4i 32 N 4i 6.01 .
9 Co 4i 33 N 4i 5.77 .
9 Co 4i 34 N 4i 7.06 .
9 Co 4i 35 N 4i 6.56 .
9 Co 4i 36 N 4i 4.32 .
9 Co 4i 37 N 4i 6.06 .
9 Co 4i 38 N 4i 4.40 .
10 Co 4i 11 Co 4i 4.69 .
10 Co 4i 12 Co 4i 2.80 .
10 Co 4i 13 Co 4i 2.75 .
10 Co 4i 14 Co 4i 2.83 .
10 Co 4i 15 Co 4i 5.48 .
10 Co 4i 16 Co 4i 4.65 .
10 Co 4i 17 Co 4i 5.40 .
10 Co 4i 18 Co 4i 7.35 .
10 Co 4i 19 Co 4i 3.87 .
10 Co 4i 20 Co 4i 6.17 .
10 Co 4i 21 Co 4i 6.31 .
10 Co 4i 22 Co 4i 4.81 .
10 Co 4i 23 N 4i 3.56 .
10 Co 4i 24 N 4i 4.27 .
10 Co 4i 25 N 4i 1.98 .
10 Co 4i 26 N 4i 2.01 .
10 Co 4i 27 N 4i 3.55 .
10 Co 4i 28 N 4i 2.07 .
10 Co 4i 29 N 4i 4.34 .
10 Co 4i 30 N 4i 1.88 .
10 Co 4i 31 N 4i 6.01 .
10 Co 4i 32 N 4i 4.48 .
10 Co 4i 33 N 4i 7.06 .
10 Co 4i 34 N 4i 5.77 .
10 Co 4i 35 N 4i 4.32 .
10 Co 4i 36 N 4i 6.56 .
10 Co 4i 37 N 4i 4.40 .
10 Co 4i 38 N 4i 6.06 .
11 Co 4i 12 Co 4i 4.79 .
11 Co 4i 13 Co 4i 3.67 .
11 Co 4i 14 Co 4i 2.96 .
11 Co 4i 15 Co 4i 2.61 .
11 Co 4i 16 Co 4i 5.79 .
11 Co 4i 17 Co 4i 6.17 .
11 Co 4i 18 Co 4i 3.87 .
11 Co 4i 19 Co 4i 7.35 .
11 Co 4i 20 Co 4i 2.74 .
11 Co 4i 21 Co 4i 4.97 .
11 Co 4i 22 Co 4i 6.00 .
11 Co 4i 23 N 4i 4.06 .
11 Co 4i 24 N 4i 2.01 .
11 Co 4i 25 N 4i 4.28 .
11 Co 4i 26 N 4i 3.39 .
11 Co 4i 27 N 4i 2.06 .
11 Co 4i 28 N 4i 4.17 .
11 Co 4i 29 N 4i 2.00 .
11 Co 4i 30 N 4i 6.02 .
11 Co 4i 31 N 4i 3.67 .
11 Co 4i 32 N 4i 6.76 .
11 Co 4i 33 N 4i 4.33 .
11 Co 4i 34 N 4i 5.86 .
11 Co 4i 35 N 4i 6.37 .
11 Co 4i 36 N 4i 4.43 .
11 Co 4i 37 N 4i 6.41 .
11 Co 4i 38 N 4i 1.99 .
12 Co 4i 13 Co 4i 2.96 .
12 Co 4i 14 Co 4i 3.67 .
12 Co 4i 15 Co 4i 5.79 .
12 Co 4i 16 Co 4i 2.61 .
12 Co 4i 17 Co 4i 3.87 .
12 Co 4i 18 Co 4i 6.17 .
12 Co 4i 19 Co 4i 2.74 .
12 Co 4i 20 Co 4i 7.35 .
12 Co 4i 21 Co 4i 6.00 .
12 Co 4i 22 Co 4i 4.97 .
12 Co 4i 23 N 4i 2.01 .
12 Co 4i 24 N 4i 4.06 .
12 Co 4i 25 N 4i 3.39 .
12 Co 4i 26 N 4i 4.28 .
12 Co 4i 27 N 4i 4.17 .
12 Co 4i 28 N 4i 2.06 .
12 Co 4i 29 N 4i 6.02 .
12 Co 4i 30 N 4i 2.00 .
12 Co 4i 31 N 4i 6.76 .
12 Co 4i 32 N 4i 3.67 .
12 Co 4i 33 N 4i 5.86 .
12 Co 4i 34 N 4i 4.33 .
12 Co 4i 35 N 4i 4.43 .
12 Co 4i 36 N 4i 6.37 .
12 Co 4i 37 N 4i 1.99 .
12 Co 4i 38 N 4i 6.41 .
13 Co 4i 14 Co 4i 4.64 .
13 Co 4i 15 Co 4i 5.71 .
13 Co 4i 16 Co 4i 2.65 .
13 Co 4i 17 Co 4i 4.81 .
13 Co 4i 18 Co 4i 6.31 .
13 Co 4i 19 Co 4i 4.97 .
13 Co 4i 20 Co 4i 6.00 .
13 Co 4i 21 Co 4i 7.35 .
13 Co 4i 22 Co 4i 4.08 .
13 Co 4i 23 N 4i 1.88 .
13 Co 4i 24 N 4i 4.04 .
13 Co 4i 25 N 4i 1.96 .
13 Co 4i 26 N 4i 3.43 .
13 Co 4i 27 N 4i 4.12 .
13 Co 4i 28 N 4i 1.98 .
13 Co 4i 29 N 4i 4.24 .
13 Co 4i 30 N 4i 3.48 .
13 Co 4i 31 N 4i 6.57 .
13 Co 4i 32 N 4i 4.56 .
13 Co 4i 33 N 4i 6.61 .
13 Co 4i 34 N 4i 4.40 .
13 Co 4i 35 N 4i 4.54 .
13 Co 4i 36 N 4i 6.99 .
13 Co 4i 37 N 4i 3.51 .
13 Co 4i 38 N 4i 5.66 .
14 Co 4i 15 Co 4i 2.65 .
14 Co 4i 16 Co 4i 5.71 .
14 Co 4i 17 Co 4i 6.31 .
14 Co 4i 18 Co 4i 4.81 .
14 Co 4i 19 Co 4i 6.00 .
14 Co 4i 20 Co 4i 4.97 .
14 Co 4i 21 Co 4i 4.08 .
14 Co 4i 22 Co 4i 7.35 .
14 Co 4i 23 N 4i 4.04 .
14 Co 4i 24 N 4i 1.88 .
14 Co 4i 25 N 4i 3.43 .
14 Co 4i 26 N 4i 1.96 .
14 Co 4i 27 N 4i 1.98 .
14 Co 4i 28 N 4i 4.12 .
14 Co 4i 29 N 4i 3.48 .
14 Co 4i 30 N 4i 4.24 .
14 Co 4i 31 N 4i 4.56 .
14 Co 4i 32 N 4i 6.57 .
14 Co 4i 33 N 4i 4.40 .
14 Co 4i 34 N 4i 6.61 .
14 Co 4i 35 N 4i 6.99 .
14 Co 4i 36 N 4i 4.54 .
14 Co 4i 37 N 4i 5.66 .
14 Co 4i 38 N 4i 3.51 .
15 Co 4i 16 Co 4i 6.64 .
15 Co 4i 17 Co 4i 4.16 .
15 Co 4i 18 Co 4i 2.94 .
15 Co 4i 19 Co 4i 5.94 .
15 Co 4i 20 Co 4i 2.88 .
15 Co 4i 21 Co 4i 3.03 .
15 Co 4i 22 Co 4i 4.95 .
15 Co 4i 23 N 4i 5.88 .
15 Co 4i 24 N 4i 1.85 .
15 Co 4i 25 N 4i 5.80 .
15 Co 4i 26 N 4i 4.19 .
15 Co 4i 27 N 4i 3.22 .
15 Co 4i 28 N 4i 5.36 .
15 Co 4i 29 N 4i 3.40 .
15 Co 4i 30 N 4i 6.79 .
15 Co 4i 31 N 4i 2.45 .
15 Co 4i 32 N 4i 5.93 .
15 Co 4i 33 N 4i 2.16 .
15 Co 4i 34 N 4i 4.62 .
15 Co 4i 35 N 4i 4.61 .
15 Co 4i 36 N 4i 3.70 .
15 Co 4i 37 N 4i 6.03 .
15 Co 4i 38 N 4i 2.00 .
16 Co 4i 17 Co 4i 2.94 .
16 Co 4i 18 Co 4i 4.16 .
16 Co 4i 19 Co 4i 2.88 .
16 Co 4i 20 Co 4i 5.94 .
16 Co 4i 21 Co 4i 4.95 .
16 Co 4i 22 Co 4i 3.03 .
16 Co 4i 23 N 4i 1.85 .
16 Co 4i 24 N 4i 5.88 .
16 Co 4i 25 N 4i 4.19 .
16 Co 4i 26 N 4i 5.80 .
16 Co 4i 27 N 4i 5.36 .
16 Co 4i 28 N 4i 3.22 .
16 Co 4i 29 N 4i 6.79 .
16 Co 4i 30 N 4i 3.40 .
16 Co 4i 31 N 4i 5.93 .
16 Co 4i 32 N 4i 2.45 .
16 Co 4i 33 N 4i 4.62 .
16 Co 4i 34 N 4i 2.16 .
16 Co 4i 35 N 4i 3.70 .
16 Co 4i 36 N 4i 4.61 .
16 Co 4i 37 N 4i 2.00 .
16 Co 4i 38 N 4i 6.03 .
17 Co 4i 18 Co 4i 2.81 .
17 Co 4i 19 Co 4i 2.80 .
17 Co 4i 20 Co 4i 4.69 .
17 Co 4i 21 Co 4i 2.83 .
17 Co 4i 22 Co 4i 2.75 .
17 Co 4i 23 N 4i 4.48 .
17 Co 4i 24 N 4i 6.01 .
17 Co 4i 25 N 4i 5.77 .
17 Co 4i 26 N 4i 7.06 .
17 Co 4i 27 N 4i 6.56 .
17 Co 4i 28 N 4i 4.32 .
17 Co 4i 29 N 4i 6.06 .
17 Co 4i 30 N 4i 4.40 .
17 Co 4i 31 N 4i 4.27 .
17 Co 4i 32 N 4i 3.56 .
17 Co 4i 33 N 4i 2.01 .
17 Co 4i 34 N 4i 1.98 .
17 Co 4i 35 N 4i 2.07 .
17 Co 4i 36 N 4i 3.55 .
17 Co 4i 37 N 4i 1.88 .
17 Co 4i 38 N 4i 4.34 .
18 Co 4i 19 Co 4i 4.69 .
18 Co 4i 20 Co 4i 2.80 .
18 Co 4i 21 Co 4i 2.75 .
18 Co 4i 22 Co 4i 2.83 .
18 Co 4i 23 N 4i 6.01 .
18 Co 4i 24 N 4i 4.48 .
18 Co 4i 25 N 4i 7.06 .
18 Co 4i 26 N 4i 5.77 .
18 Co 4i 27 N 4i 4.32 .
18 Co 4i 28 N 4i 6.56 .
18 Co 4i 29 N 4i 4.40 .
18 Co 4i 30 N 4i 6.06 .
18 Co 4i 31 N 4i 3.56 .
18 Co 4i 32 N 4i 4.27 .
18 Co 4i 33 N 4i 1.98 .
18 Co 4i 34 N 4i 2.01 .
18 Co 4i 35 N 4i 3.55 .
18 Co 4i 36 N 4i 2.07 .
18 Co 4i 37 N 4i 4.34 .
18 Co 4i 38 N 4i 1.88 .
19 Co 4i 20 Co 4i 4.79 .
19 Co 4i 21 Co 4i 3.67 .
19 Co 4i 22 Co 4i 2.96 .
19 Co 4i 23 N 4i 3.67 .
19 Co 4i 24 N 4i 6.76 .
19 Co 4i 25 N 4i 4.33 .
19 Co 4i 26 N 4i 5.86 .
19 Co 4i 27 N 4i 6.37 .
19 Co 4i 28 N 4i 4.43 .
19 Co 4i 29 N 4i 6.41 .
19 Co 4i 30 N 4i 1.99 .
19 Co 4i 31 N 4i 4.06 .
19 Co 4i 32 N 4i 2.01 .
19 Co 4i 33 N 4i 4.28 .
19 Co 4i 34 N 4i 3.39 .
19 Co 4i 35 N 4i 2.06 .
19 Co 4i 36 N 4i 4.17 .
19 Co 4i 37 N 4i 2.00 .
19 Co 4i 38 N 4i 6.02 .
20 Co 4i 21 Co 4i 2.96 .
20 Co 4i 22 Co 4i 3.67 .
20 Co 4i 23 N 4i 6.76 .
20 Co 4i 24 N 4i 3.67 .
20 Co 4i 25 N 4i 5.86 .
20 Co 4i 26 N 4i 4.33 .
20 Co 4i 27 N 4i 4.43 .
20 Co 4i 28 N 4i 6.37 .
20 Co 4i 29 N 4i 1.99 .
20 Co 4i 30 N 4i 6.41 .
20 Co 4i 31 N 4i 2.01 .
20 Co 4i 32 N 4i 4.06 .
20 Co 4i 33 N 4i 3.39 .
20 Co 4i 34 N 4i 4.28 .
20 Co 4i 35 N 4i 4.17 .
20 Co 4i 36 N 4i 2.06 .
20 Co 4i 37 N 4i 6.02 .
20 Co 4i 38 N 4i 2.00 .
21 Co 4i 22 Co 4i 4.64 .
21 Co 4i 23 N 4i 6.57 .
21 Co 4i 24 N 4i 4.56 .
21 Co 4i 25 N 4i 6.61 .
21 Co 4i 26 N 4i 4.40 .
21 Co 4i 27 N 4i 4.54 .
21 Co 4i 28 N 4i 6.99 .
21 Co 4i 29 N 4i 3.51 .
21 Co 4i 30 N 4i 5.66 .
21 Co 4i 31 N 4i 1.88 .
21 Co 4i 32 N 4i 4.04 .
21 Co 4i 33 N 4i 1.96 .
21 Co 4i 34 N 4i 3.43 .
21 Co 4i 35 N 4i 4.12 .
21 Co 4i 36 N 4i 1.98 .
21 Co 4i 37 N 4i 4.24 .
21 Co 4i 38 N 4i 3.48 .
22 Co 4i 23 N 4i 4.56 .
22 Co 4i 24 N 4i 6.57 .
22 Co 4i 25 N 4i 4.40 .
22 Co 4i 26 N 4i 6.61 .
22 Co 4i 27 N 4i 6.99 .
22 Co 4i 28 N 4i 4.54 .
22 Co 4i 29 N 4i 5.66 .
22 Co 4i 30 N 4i 3.51 .
22 Co 4i 31 N 4i 4.04 .
22 Co 4i 32 N 4i 1.88 .
22 Co 4i 33 N 4i 3.43 .
22 Co 4i 34 N 4i 1.96 .
22 Co 4i 35 N 4i 1.98 .
22 Co 4i 36 N 4i 4.12 .
22 Co 4i 37 N 4i 3.48 .
22 Co 4i 38 N 4i 4.24 .
23 N 4i 24 N 4i 4.26 .
23 N 4i 25 N 4i 2.92 .
23 N 4i 26 N 4i 4.73 .
23 N 4i 27 N 4i 3.51 .
23 N 4i 28 N 4i 2.62 .
23 N 4i 29 N 4i 5.34 .
23 N 4i 30 N 4i 3.06 .
23 N 4i 31 N 4i 7.35 .
23 N 4i 32 N 4i 3.44 .
23 N 4i 33 N 4i 6.34 .
23 N 4i 34 N 4i 4.01 .
23 N 4i 35 N 4i 5.03 .
23 N 4i 36 N 4i 6.32 .
23 N 4i 37 N 4i 2.92 .
23 N 4i 38 N 4i 5.84 .
24 N 4i 25 N 4i 4.73 .
24 N 4i 26 N 4i 2.92 .
24 N 4i 27 N 4i 2.62 .
24 N 4i 28 N 4i 3.51 .
24 N 4i 29 N 4i 3.06 .
24 N 4i 30 N 4i 5.34 .
24 N 4i 31 N 4i 3.44 .
24 N 4i 32 N 4i 7.35 .
24 N 4i 33 N 4i 4.01 .
24 N 4i 34 N 4i 6.34 .
24 N 4i 35 N 4i 6.32 .
24 N 4i 36 N 4i 5.03 .
24 N 4i 37 N 4i 5.84 .
24 N 4i 38 N 4i 2.92 .
25 N 4i 26 N 4i 2.82 .
25 N 4i 27 N 4i 2.92 .
25 N 4i 28 N 4i 2.89 .
25 N 4i 29 N 4i 3.87 .
25 N 4i 30 N 4i 2.72 .
25 N 4i 31 N 4i 6.34 .
25 N 4i 32 N 4i 4.01 .
25 N 4i 33 N 4i 7.35 .
25 N 4i 34 N 4i 5.44 .
25 N 4i 35 N 4i 4.76 .
25 N 4i 36 N 4i 6.26 .
25 N 4i 37 N 4i 4.83 .
25 N 4i 38 N 4i 5.71 .
26 N 4i 27 N 4i 2.89 .
26 N 4i 28 N 4i 2.92 .
26 N 4i 29 N 4i 2.72 .
26 N 4i 30 N 4i 3.87 .
26 N 4i 31 N 4i 4.01 .
26 N 4i 32 N 4i 6.34 .
26 N 4i 33 N 4i 5.44 .
26 N 4i 34 N 4i 7.35 .
26 N 4i 35 N 4i 6.26 .
26 N 4i 36 N 4i 4.76 .
26 N 4i 37 N 4i 5.71 .
26 N 4i 38 N 4i 4.83 .
27 N 4i 28 N 4i 4.51 .
27 N 4i 29 N 4i 2.97 .
27 N 4i 30 N 4i 4.74 .
27 N 4i 31 N 4i 5.03 .
27 N 4i 32 N 4i 6.32 .
27 N 4i 33 N 4i 4.76 .
27 N 4i 34 N 4i 6.26 .
27 N 4i 35 N 4i 7.35 .
27 N 4i 36 N 4i 4.09 .
27 N 4i 37 N 4i 5.99 .
27 N 4i 38 N 4i 2.80 .
28 N 4i 29 N 4i 4.74 .
28 N 4i 30 N 4i 2.97 .
28 N 4i 31 N 4i 6.32 .
28 N 4i 32 N 4i 5.03 .
28 N 4i 33 N 4i 6.26 .
28 N 4i 34 N 4i 4.76 .
28 N 4i 35 N 4i 4.09 .
28 N 4i 36 N 4i 7.35 .
28 N 4i 37 N 4i 2.80 .
28 N 4i 38 N 4i 5.99 .
29 N 4i 30 N 4i 6.07 .
29 N 4i 31 N 4i 2.92 .
29 N 4i 32 N 4i 5.84 .
29 N 4i 33 N 4i 4.83 .
29 N 4i 34 N 4i 5.71 .
29 N 4i 35 N 4i 5.99 .
29 N 4i 36 N 4i 2.80 .
29 N 4i 37 N 4i 7.35 .
29 N 4i 38 N 4i 2.90 .
30 N 4i 31 N 4i 5.84 .
30 N 4i 32 N 4i 2.92 .
30 N 4i 33 N 4i 5.71 .
30 N 4i 34 N 4i 4.83 .
30 N 4i 35 N 4i 2.80 .
30 N 4i 36 N 4i 5.99 .
30 N 4i 37 N 4i 2.90 .
30 N 4i 38 N 4i 7.35 .
31 N 4i 32 N 4i 4.26 .
31 N 4i 33 N 4i 2.92 .
31 N 4i 34 N 4i 4.73 .
31 N 4i 35 N 4i 3.51 .
31 N 4i 36 N 4i 2.62 .
31 N 4i 37 N 4i 5.34 .
31 N 4i 38 N 4i 3.06 .
32 N 4i 33 N 4i 4.73 .
32 N 4i 34 N 4i 2.92 .
32 N 4i 35 N 4i 2.62 .
32 N 4i 36 N 4i 3.51 .
32 N 4i 37 N 4i 3.06 .
32 N 4i 38 N 4i 5.34 .
33 N 4i 34 N 4i 2.82 .
33 N 4i 35 N 4i 2.92 .
33 N 4i 36 N 4i 2.89 .
33 N 4i 37 N 4i 3.87 .
33 N 4i 38 N 4i 2.72 .
34 N 4i 35 N 4i 2.89 .
34 N 4i 36 N 4i 2.92 .
34 N 4i 37 N 4i 2.72 .
34 N 4i 38 N 4i 3.87 .
35 N 4i 36 N 4i 4.51 .
35 N 4i 37 N 4i 2.97 .
35 N 4i 38 N 4i 4.74 .
36 N 4i 37 N 4i 4.74 .
36 N 4i 38 N 4i 2.97 .
37 N 4i 38 N 4i 6.07 .
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-1246172
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