Material:

Nb3Co8Si

ID:

MMD-1862

Explore database:

Compounds with the same formula: Nb3Co8Si (2 entries found)
Compounds with the same elements: Nb-Co-Si (11 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

160

Hermann-Mauguin

R3m

Hall

R 3 -2"

Point group

3m

Structure data:

Normalized formula

Nb3Co8Si

The number of formula units per unit cell

3

The total number of atoms per unit cell

36

The number of inequivalent sites per unit cell

8

Structure search

MP

Lattice parameters:

a (Å)

4.7330

b (Å)

4.7330

c (Å)

23.0196

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

120.000

Volume (Å3)

446.579

Density (g/cm3)

8.682

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-156.7 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: Nb3Co8Si

2 entries found

Compounds with the same elements: Nb-Co-Si

11 entries found

Binary compounds in Nb-Co system

8 entries found

Binary compounds in Nb-Si system

No entries found

Binary compounds in Co-Si system

17 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

6.76 μB/cell

Averaged magnetic moment

0.19 μB/atom

Magnetic polarization, Js = μ0Ms

0.18 T (= 143.2 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 3a 0.333333 0.666667 0.288806 -0.06 . .
2 Nb 3a 0.000000 0.000000 0.006303 -0.08 . .
3 Nb 3a 0.333333 0.666667 0.162630 -0.09 . .
4 Nb 3a 0.000000 0.000000 0.622140 -0.06 . .
5 Nb 3a 0.666667 0.333333 0.339636 -0.08 . .
6 Nb 3a 0.000000 0.000000 0.495963 -0.09 . .
7 Nb 3a 0.666667 0.333333 0.955473 -0.06 . .
8 Nb 3a 0.333333 0.666667 0.672969 -0.08 . .
9 Nb 3a 0.666667 0.333333 0.829297 -0.09 . .
10 Co 9b 0.997916 0.498958 0.061795 0.32 . .
11 Co 9b 0.332848 0.166424 0.228323 0.30 . .
12 Co 9b 0.501042 0.498958 0.061795 0.32 . .
13 Co 9b 0.833576 0.166424 0.228323 0.30 . .
14 Co 9b 0.666667 0.333333 0.144135 0.46 . .
15 Co 9b 0.000000 0.000000 0.311588 0.30 . .
16 Co 9b 0.501042 0.002084 0.061795 0.32 . .
17 Co 9b 0.833576 0.667152 0.228323 0.30 . .
18 Co 9b 0.664583 0.832292 0.395128 0.32 . .
19 Co 9b 0.999514 0.499757 0.561657 0.29 . .
20 Co 9b 0.167708 0.832292 0.395128 0.32 . .
21 Co 9b 0.500243 0.499757 0.561657 0.29 . .
22 Co 9b 0.333333 0.666667 0.477468 0.46 . .
23 Co 9b 0.666667 0.333333 0.644921 0.30 . .
24 Co 9b 0.167708 0.335417 0.395128 0.32 . .
25 Co 9b 0.500243 0.000486 0.561657 0.29 . .
26 Co 9b 0.331250 0.165625 0.728462 0.32 . .
27 Co 9b 0.666181 0.833090 0.894990 0.30 . .
28 Co 3a 0.834375 0.165625 0.728462 0.32 . .
29 Co 3a 0.166910 0.833090 0.894990 0.30 . .
30 Co 3a 0.000000 0.000000 0.810801 0.47 . .
31 Co 3a 0.333333 0.666667 0.978255 0.30 . .
32 Co 3a 0.834375 0.668750 0.728462 0.32 . .
33 Co 3a 0.166910 0.333819 0.894990 0.30 . .
34 Si 3a 0.000000 0.000000 0.132850 0.01 . .
35 Si 3a 0.666667 0.333333 0.466184 0.01 . .
36 Si 3a 0.333333 0.666667 0.799517 0.01 . .
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 3a 2 Nb 3a 7.05 .
1 Nb 3a 3 Nb 3a 2.90 .
1 Nb 3a 4 Nb 3a 8.15 .
1 Nb 3a 5 Nb 3a 2.97 .
1 Nb 3a 6 Nb 3a 5.50 .
1 Nb 3a 7 Nb 3a 8.15 .
1 Nb 3a 8 Nb 3a 8.84 .
1 Nb 3a 9 Nb 3a 10.92 .
1 Nb 3a 10 Co 9b 5.40 .
1 Nb 3a 11 Co 9b 2.75 .
1 Nb 3a 12 Co 9b 5.40 .
1 Nb 3a 13 Co 9b 2.75 .
1 Nb 3a 14 Co 9b 4.31 .
1 Nb 3a 15 Co 9b 2.78 .
1 Nb 3a 16 Co 9b 5.40 .
1 Nb 3a 17 Co 9b 2.75 .
1 Nb 3a 18 Co 9b 2.80 .
1 Nb 3a 19 Co 9b 6.43 .
1 Nb 3a 20 Co 9b 2.80 .
1 Nb 3a 21 Co 9b 6.43 .
1 Nb 3a 22 Co 9b 4.34 .
1 Nb 3a 23 Co 9b 8.64 .
1 Nb 3a 24 Co 9b 2.80 .
1 Nb 3a 25 Co 9b 6.43 .
1 Nb 3a 26 Co 9b 10.39 .
1 Nb 3a 27 Co 9b 9.17 .
1 Nb 3a 28 Co 3a 10.39 .
1 Nb 3a 29 Co 3a 9.17 .
1 Nb 3a 30 Co 3a 11.34 .
1 Nb 3a 31 Co 3a 7.15 .
1 Nb 3a 32 Co 3a 10.39 .
1 Nb 3a 33 Co 3a 9.17 .
1 Nb 3a 34 Si 3a 4.51 .
1 Nb 3a 35 Si 3a 4.91 .
1 Nb 3a 36 Si 3a 11.26 .
2 Nb 3a 3 Nb 3a 4.52 .
2 Nb 3a 4 Nb 3a 8.84 .
2 Nb 3a 5 Nb 3a 8.15 .
2 Nb 3a 6 Nb 3a 11.27 .
2 Nb 3a 7 Nb 3a 2.97 .
2 Nb 3a 8 Nb 3a 8.15 .
2 Nb 3a 9 Nb 3a 4.91 .
2 Nb 3a 10 Co 9b 2.69 .
2 Nb 3a 11 Co 9b 5.29 .
2 Nb 3a 12 Co 9b 2.69 .
2 Nb 3a 13 Co 9b 5.29 .
2 Nb 3a 14 Co 9b 4.19 .
2 Nb 3a 15 Co 9b 7.03 .
2 Nb 3a 16 Co 9b 2.69 .
2 Nb 3a 17 Co 9b 5.29 .
2 Nb 3a 18 Co 9b 9.06 .
2 Nb 3a 19 Co 9b 10.51 .
2 Nb 3a 20 Co 9b 9.06 .
2 Nb 3a 21 Co 9b 10.51 .
2 Nb 3a 22 Co 9b 11.18 .
2 Nb 3a 23 Co 9b 8.76 .
2 Nb 3a 24 Co 9b 9.06 .
2 Nb 3a 25 Co 9b 10.51 .
2 Nb 3a 26 Co 9b 6.54 .
2 Nb 3a 27 Co 9b 2.90 .
2 Nb 3a 28 Co 3a 6.54 .
2 Nb 3a 29 Co 3a 2.90 .
2 Nb 3a 30 Co 3a 4.50 .
2 Nb 3a 31 Co 3a 2.81 .
2 Nb 3a 32 Co 3a 6.54 .
2 Nb 3a 33 Co 3a 2.90 .
2 Nb 3a 34 Si 3a 2.91 .
2 Nb 3a 35 Si 3a 10.93 .
2 Nb 3a 36 Si 3a 5.49 .
3 Nb 3a 4 Nb 3a 10.92 .
3 Nb 3a 5 Nb 3a 4.91 .
3 Nb 3a 6 Nb 3a 8.15 .
3 Nb 3a 7 Nb 3a 5.50 .
3 Nb 3a 8 Nb 3a 11.27 .
3 Nb 3a 9 Nb 3a 8.15 .
3 Nb 3a 10 Co 9b 2.70 .
3 Nb 3a 11 Co 9b 2.81 .
3 Nb 3a 12 Co 9b 2.70 .
3 Nb 3a 13 Co 9b 2.81 .
3 Nb 3a 14 Co 9b 2.77 .
3 Nb 3a 15 Co 9b 4.38 .
3 Nb 3a 16 Co 9b 2.70 .
3 Nb 3a 17 Co 9b 2.81 .
3 Nb 3a 18 Co 9b 5.52 .
3 Nb 3a 19 Co 9b 9.29 .
3 Nb 3a 20 Co 9b 5.52 .
3 Nb 3a 21 Co 9b 9.29 .
3 Nb 3a 22 Co 9b 7.25 .
3 Nb 3a 23 Co 9b 11.43 .
3 Nb 3a 24 Co 9b 5.52 .
3 Nb 3a 25 Co 9b 9.29 .
3 Nb 3a 26 Co 9b 10.27 .
3 Nb 3a 27 Co 9b 6.31 .
3 Nb 3a 28 Co 3a 10.27 .
3 Nb 3a 29 Co 3a 6.31 .
3 Nb 3a 30 Co 3a 8.55 .
3 Nb 3a 31 Co 3a 4.24 .
3 Nb 3a 32 Co 3a 10.27 .
3 Nb 3a 33 Co 3a 6.31 .
3 Nb 3a 34 Si 3a 2.82 .
3 Nb 3a 35 Si 3a 7.50 .
3 Nb 3a 36 Si 3a 8.36 .
4 Nb 3a 5 Nb 3a 7.05 .
4 Nb 3a 6 Nb 3a 2.90 .
4 Nb 3a 7 Nb 3a 8.15 .
4 Nb 3a 8 Nb 3a 2.97 .
4 Nb 3a 9 Nb 3a 5.50 .
4 Nb 3a 10 Co 9b 10.39 .
4 Nb 3a 11 Co 9b 9.17 .
4 Nb 3a 12 Co 9b 10.39 .
4 Nb 3a 13 Co 9b 9.17 .
4 Nb 3a 14 Co 9b 11.34 .
4 Nb 3a 15 Co 9b 7.15 .
4 Nb 3a 16 Co 9b 10.39 .
4 Nb 3a 17 Co 9b 9.17 .
4 Nb 3a 18 Co 9b 5.40 .
4 Nb 3a 19 Co 9b 2.75 .
4 Nb 3a 20 Co 9b 5.40 .
4 Nb 3a 21 Co 9b 2.75 .
4 Nb 3a 22 Co 9b 4.31 .
4 Nb 3a 23 Co 9b 2.78 .
4 Nb 3a 24 Co 9b 5.40 .
4 Nb 3a 25 Co 9b 2.75 .
4 Nb 3a 26 Co 9b 2.80 .
4 Nb 3a 27 Co 9b 6.43 .
4 Nb 3a 28 Co 3a 2.80 .
4 Nb 3a 29 Co 3a 6.43 .
4 Nb 3a 30 Co 3a 4.34 .
4 Nb 3a 31 Co 3a 8.64 .
4 Nb 3a 32 Co 3a 2.80 .
4 Nb 3a 33 Co 3a 6.43 .
4 Nb 3a 34 Si 3a 11.26 .
4 Nb 3a 35 Si 3a 4.51 .
4 Nb 3a 36 Si 3a 4.91 .
5 Nb 3a 6 Nb 3a 4.52 .
5 Nb 3a 7 Nb 3a 8.84 .
5 Nb 3a 8 Nb 3a 8.15 .
5 Nb 3a 9 Nb 3a 11.27 .
5 Nb 3a 10 Co 9b 6.54 .
5 Nb 3a 11 Co 9b 2.90 .
5 Nb 3a 12 Co 9b 6.54 .
5 Nb 3a 13 Co 9b 2.90 .
5 Nb 3a 14 Co 9b 4.50 .
5 Nb 3a 15 Co 9b 2.81 .
5 Nb 3a 16 Co 9b 6.54 .
5 Nb 3a 17 Co 9b 2.90 .
5 Nb 3a 18 Co 9b 2.69 .
5 Nb 3a 19 Co 9b 5.29 .
5 Nb 3a 20 Co 9b 2.69 .
5 Nb 3a 21 Co 9b 5.29 .
5 Nb 3a 22 Co 9b 4.19 .
5 Nb 3a 23 Co 9b 7.03 .
5 Nb 3a 24 Co 9b 2.69 .
5 Nb 3a 25 Co 9b 5.29 .
5 Nb 3a 26 Co 9b 9.06 .
5 Nb 3a 27 Co 9b 10.51 .
5 Nb 3a 28 Co 3a 9.06 .
5 Nb 3a 29 Co 3a 10.51 .
5 Nb 3a 30 Co 3a 11.18 .
5 Nb 3a 31 Co 3a 8.76 .
5 Nb 3a 32 Co 3a 9.06 .
5 Nb 3a 33 Co 3a 10.51 .
5 Nb 3a 34 Si 3a 5.49 .
5 Nb 3a 35 Si 3a 2.91 .
5 Nb 3a 36 Si 3a 10.93 .
6 Nb 3a 7 Nb 3a 10.92 .
6 Nb 3a 8 Nb 3a 4.91 .
6 Nb 3a 9 Nb 3a 8.15 .
6 Nb 3a 10 Co 9b 10.27 .
6 Nb 3a 11 Co 9b 6.31 .
6 Nb 3a 12 Co 9b 10.27 .
6 Nb 3a 13 Co 9b 6.31 .
6 Nb 3a 14 Co 9b 8.55 .
6 Nb 3a 15 Co 9b 4.24 .
6 Nb 3a 16 Co 9b 10.27 .
6 Nb 3a 17 Co 9b 6.31 .
6 Nb 3a 18 Co 9b 2.70 .
6 Nb 3a 19 Co 9b 2.81 .
6 Nb 3a 20 Co 9b 2.70 .
6 Nb 3a 21 Co 9b 2.81 .
6 Nb 3a 22 Co 9b 2.77 .
6 Nb 3a 23 Co 9b 4.38 .
6 Nb 3a 24 Co 9b 2.70 .
6 Nb 3a 25 Co 9b 2.81 .
6 Nb 3a 26 Co 9b 5.52 .
6 Nb 3a 27 Co 9b 9.29 .
6 Nb 3a 28 Co 3a 5.52 .
6 Nb 3a 29 Co 3a 9.29 .
6 Nb 3a 30 Co 3a 7.25 .
6 Nb 3a 31 Co 3a 11.43 .
6 Nb 3a 32 Co 3a 5.52 .
6 Nb 3a 33 Co 3a 9.29 .
6 Nb 3a 34 Si 3a 8.36 .
6 Nb 3a 35 Si 3a 2.82 .
6 Nb 3a 36 Si 3a 7.50 .
7 Nb 3a 8 Nb 3a 7.05 .
7 Nb 3a 9 Nb 3a 2.90 .
7 Nb 3a 10 Co 9b 2.80 .
7 Nb 3a 11 Co 9b 6.43 .
7 Nb 3a 12 Co 9b 2.80 .
7 Nb 3a 13 Co 9b 6.43 .
7 Nb 3a 14 Co 9b 4.34 .
7 Nb 3a 15 Co 9b 8.64 .
7 Nb 3a 16 Co 9b 2.80 .
7 Nb 3a 17 Co 9b 6.43 .
7 Nb 3a 18 Co 9b 10.39 .
7 Nb 3a 19 Co 9b 9.17 .
7 Nb 3a 20 Co 9b 10.39 .
7 Nb 3a 21 Co 9b 9.17 .
7 Nb 3a 22 Co 9b 11.34 .
7 Nb 3a 23 Co 9b 7.15 .
7 Nb 3a 24 Co 9b 10.39 .
7 Nb 3a 25 Co 9b 9.17 .
7 Nb 3a 26 Co 9b 5.40 .
7 Nb 3a 27 Co 9b 2.75 .
7 Nb 3a 28 Co 3a 5.40 .
7 Nb 3a 29 Co 3a 2.75 .
7 Nb 3a 30 Co 3a 4.31 .
7 Nb 3a 31 Co 3a 2.78 .
7 Nb 3a 32 Co 3a 5.40 .
7 Nb 3a 33 Co 3a 2.75 .
7 Nb 3a 34 Si 3a 4.91 .
7 Nb 3a 35 Si 3a 11.26 .
7 Nb 3a 36 Si 3a 4.51 .
8 Nb 3a 9 Nb 3a 4.52 .
8 Nb 3a 10 Co 9b 9.06 .
8 Nb 3a 11 Co 9b 10.51 .
8 Nb 3a 12 Co 9b 9.06 .
8 Nb 3a 13 Co 9b 10.51 .
8 Nb 3a 14 Co 9b 11.18 .
8 Nb 3a 15 Co 9b 8.76 .
8 Nb 3a 16 Co 9b 9.06 .
8 Nb 3a 17 Co 9b 10.51 .
8 Nb 3a 18 Co 9b 6.54 .
8 Nb 3a 19 Co 9b 2.90 .
8 Nb 3a 20 Co 9b 6.54 .
8 Nb 3a 21 Co 9b 2.90 .
8 Nb 3a 22 Co 9b 4.50 .
8 Nb 3a 23 Co 9b 2.81 .
8 Nb 3a 24 Co 9b 6.54 .
8 Nb 3a 25 Co 9b 2.90 .
8 Nb 3a 26 Co 9b 2.69 .
8 Nb 3a 27 Co 9b 5.29 .
8 Nb 3a 28 Co 3a 2.69 .
8 Nb 3a 29 Co 3a 5.29 .
8 Nb 3a 30 Co 3a 4.19 .
8 Nb 3a 31 Co 3a 7.03 .
8 Nb 3a 32 Co 3a 2.69 .
8 Nb 3a 33 Co 3a 5.29 .
8 Nb 3a 34 Si 3a 10.93 .
8 Nb 3a 35 Si 3a 5.49 .
8 Nb 3a 36 Si 3a 2.91 .
9 Nb 3a 10 Co 9b 5.52 .
9 Nb 3a 11 Co 9b 9.29 .
9 Nb 3a 12 Co 9b 5.52 .
9 Nb 3a 13 Co 9b 9.29 .
9 Nb 3a 14 Co 9b 7.25 .
9 Nb 3a 15 Co 9b 11.43 .
9 Nb 3a 16 Co 9b 5.52 .
9 Nb 3a 17 Co 9b 9.29 .
9 Nb 3a 18 Co 9b 10.27 .
9 Nb 3a 19 Co 9b 6.31 .
9 Nb 3a 20 Co 9b 10.27 .
9 Nb 3a 21 Co 9b 6.31 .
9 Nb 3a 22 Co 9b 8.55 .
9 Nb 3a 23 Co 9b 4.24 .
9 Nb 3a 24 Co 9b 10.27 .
9 Nb 3a 25 Co 9b 6.31 .
9 Nb 3a 26 Co 9b 2.70 .
9 Nb 3a 27 Co 9b 2.81 .
9 Nb 3a 28 Co 3a 2.70 .
9 Nb 3a 29 Co 3a 2.81 .
9 Nb 3a 30 Co 3a 2.77 .
9 Nb 3a 31 Co 3a 4.38 .
9 Nb 3a 32 Co 3a 2.70 .
9 Nb 3a 33 Co 3a 2.81 .
9 Nb 3a 34 Si 3a 7.50 .
9 Nb 3a 35 Si 3a 8.36 .
9 Nb 3a 36 Si 3a 2.82 .
10 Co 9b 11 Co 9b 4.70 .
10 Co 9b 12 Co 9b 2.35 .
10 Co 9b 13 Co 9b 4.07 .
10 Co 9b 14 Co 9b 2.33 .
10 Co 9b 15 Co 9b 6.22 .
10 Co 9b 16 Co 9b 2.35 .
10 Co 9b 17 Co 9b 4.07 .
10 Co 9b 18 Co 9b 8.15 .
10 Co 9b 19 Co 9b 11.51 .
10 Co 9b 20 Co 9b 7.79 .
10 Co 9b 21 Co 9b 11.75 .
10 Co 9b 22 Co 9b 9.67 .
10 Co 9b 23 Co 9b 9.69 .
10 Co 9b 24 Co 9b 7.79 .
10 Co 9b 25 Co 9b 11.75 .
10 Co 9b 26 Co 9b 8.15 .
10 Co 9b 27 Co 9b 4.71 .
10 Co 9b 28 Co 3a 7.79 .
10 Co 9b 29 Co 3a 4.08 .
10 Co 9b 30 Co 3a 6.24 .
10 Co 9b 31 Co 3a 2.36 .
10 Co 9b 32 Co 3a 7.79 .
10 Co 9b 33 Co 3a 4.08 .
10 Co 9b 34 Si 3a 2.88 .
10 Co 9b 35 Si 3a 9.41 .
10 Co 9b 36 Si 3a 6.19 .
11 Co 9b 12 Co 9b 4.07 .
11 Co 9b 13 Co 9b 2.36 .
11 Co 9b 14 Co 9b 2.37 .
11 Co 9b 15 Co 9b 2.35 .
11 Co 9b 16 Co 9b 4.07 .
11 Co 9b 17 Co 9b 2.36 .
11 Co 9b 18 Co 9b 4.71 .
11 Co 9b 19 Co 9b 8.15 .
11 Co 9b 20 Co 9b 4.08 .
11 Co 9b 21 Co 9b 7.79 .
11 Co 9b 22 Co 9b 6.20 .
11 Co 9b 23 Co 9b 9.69 .
11 Co 9b 24 Co 9b 4.08 .
11 Co 9b 25 Co 9b 7.79 .
11 Co 9b 26 Co 9b 11.51 .
11 Co 9b 27 Co 9b 8.15 .
11 Co 9b 28 Co 3a 11.75 .
11 Co 9b 29 Co 3a 7.79 .
11 Co 9b 30 Co 3a 9.71 .
11 Co 9b 31 Co 3a 6.22 .
11 Co 9b 32 Co 3a 11.75 .
11 Co 9b 33 Co 3a 7.79 .
11 Co 9b 34 Si 3a 2.59 .
11 Co 9b 35 Si 3a 5.64 .
11 Co 9b 36 Si 3a 10.15 .
12 Co 9b 13 Co 9b 4.70 .
12 Co 9b 14 Co 9b 2.33 .
12 Co 9b 15 Co 9b 6.22 .
12 Co 9b 16 Co 9b 2.35 .
12 Co 9b 17 Co 9b 4.07 .
12 Co 9b 18 Co 9b 7.79 .
12 Co 9b 19 Co 9b 11.75 .
12 Co 9b 20 Co 9b 8.15 .
12 Co 9b 21 Co 9b 11.51 .
12 Co 9b 22 Co 9b 9.67 .
12 Co 9b 23 Co 9b 9.69 .
12 Co 9b 24 Co 9b 7.79 .
12 Co 9b 25 Co 9b 11.75 .
12 Co 9b 26 Co 9b 7.79 .
12 Co 9b 27 Co 9b 4.08 .
12 Co 9b 28 Co 3a 8.15 .
12 Co 9b 29 Co 3a 4.71 .
12 Co 9b 30 Co 3a 6.24 .
12 Co 9b 31 Co 3a 2.36 .
12 Co 9b 32 Co 3a 7.79 .
12 Co 9b 33 Co 3a 4.08 .
12 Co 9b 34 Si 3a 2.88 .
12 Co 9b 35 Si 3a 9.41 .
12 Co 9b 36 Si 3a 6.19 .
13 Co 9b 14 Co 9b 2.37 .
13 Co 9b 15 Co 9b 2.35 .
13 Co 9b 16 Co 9b 4.07 .
13 Co 9b 17 Co 9b 2.36 .
13 Co 9b 18 Co 9b 4.08 .
13 Co 9b 19 Co 9b 7.79 .
13 Co 9b 20 Co 9b 4.71 .
13 Co 9b 21 Co 9b 8.15 .
13 Co 9b 22 Co 9b 6.20 .
13 Co 9b 23 Co 9b 9.69 .
13 Co 9b 24 Co 9b 4.08 .
13 Co 9b 25 Co 9b 7.79 .
13 Co 9b 26 Co 9b 11.75 .
13 Co 9b 27 Co 9b 7.79 .
13 Co 9b 28 Co 3a 11.51 .
13 Co 9b 29 Co 3a 8.15 .
13 Co 9b 30 Co 3a 9.71 .
13 Co 9b 31 Co 3a 6.22 .
13 Co 9b 32 Co 3a 11.75 .
13 Co 9b 33 Co 3a 7.79 .
13 Co 9b 34 Si 3a 2.59 .
13 Co 9b 35 Si 3a 5.64 .
13 Co 9b 36 Si 3a 10.15 .
14 Co 9b 15 Co 9b 4.73 .
14 Co 9b 16 Co 9b 2.33 .
14 Co 9b 17 Co 9b 2.37 .
14 Co 9b 18 Co 9b 6.24 .
14 Co 9b 19 Co 9b 9.71 .
14 Co 9b 20 Co 9b 6.24 .
14 Co 9b 21 Co 9b 9.71 .
14 Co 9b 22 Co 9b 8.15 .
14 Co 9b 23 Co 9b 11.49 .
14 Co 9b 24 Co 9b 6.24 .
14 Co 9b 25 Co 9b 9.71 .
14 Co 9b 26 Co 9b 9.67 .
14 Co 9b 27 Co 9b 6.20 .
14 Co 9b 28 Co 3a 9.67 .
14 Co 9b 29 Co 3a 6.20 .
14 Co 9b 30 Co 3a 8.15 .
14 Co 9b 31 Co 3a 4.70 .
14 Co 9b 32 Co 3a 9.67 .
14 Co 9b 33 Co 3a 6.20 .
14 Co 9b 34 Si 3a 2.74 .
14 Co 9b 35 Si 3a 7.41 .
14 Co 9b 36 Si 3a 8.39 .
15 Co 9b 16 Co 9b 6.22 .
15 Co 9b 17 Co 9b 2.35 .
15 Co 9b 18 Co 9b 2.36 .
15 Co 9b 19 Co 9b 6.22 .
15 Co 9b 20 Co 9b 2.36 .
15 Co 9b 21 Co 9b 6.22 .
15 Co 9b 22 Co 9b 4.70 .
15 Co 9b 23 Co 9b 8.15 .
15 Co 9b 24 Co 9b 2.36 .
15 Co 9b 25 Co 9b 6.22 .
15 Co 9b 26 Co 9b 9.69 .
15 Co 9b 27 Co 9b 9.69 .
15 Co 9b 28 Co 3a 9.69 .
15 Co 9b 29 Co 3a 9.69 .
15 Co 9b 30 Co 3a 11.49 .
15 Co 9b 31 Co 3a 8.15 .
15 Co 9b 32 Co 3a 9.69 .
15 Co 9b 33 Co 3a 9.69 .
15 Co 9b 34 Si 3a 4.11 .
15 Co 9b 35 Si 3a 4.49 .
15 Co 9b 36 Si 3a 11.56 .
16 Co 9b 17 Co 9b 4.70 .
16 Co 9b 18 Co 9b 7.79 .
16 Co 9b 19 Co 9b 11.75 .
16 Co 9b 20 Co 9b 7.79 .
16 Co 9b 21 Co 9b 11.75 .
16 Co 9b 22 Co 9b 9.67 .
16 Co 9b 23 Co 9b 9.69 .
16 Co 9b 24 Co 9b 8.15 .
16 Co 9b 25 Co 9b 11.51 .
16 Co 9b 26 Co 9b 7.79 .
16 Co 9b 27 Co 9b 4.08 .
16 Co 9b 28 Co 3a 7.79 .
16 Co 9b 29 Co 3a 4.08 .
16 Co 9b 30 Co 3a 6.24 .
16 Co 9b 31 Co 3a 2.36 .
16 Co 9b 32 Co 3a 8.15 .
16 Co 9b 33 Co 3a 4.71 .
16 Co 9b 34 Si 3a 2.88 .
16 Co 9b 35 Si 3a 9.41 .
16 Co 9b 36 Si 3a 6.19 .
17 Co 9b 18 Co 9b 4.08 .
17 Co 9b 19 Co 9b 7.79 .
17 Co 9b 20 Co 9b 4.08 .
17 Co 9b 21 Co 9b 7.79 .
17 Co 9b 22 Co 9b 6.20 .
17 Co 9b 23 Co 9b 9.69 .
17 Co 9b 24 Co 9b 4.71 .
17 Co 9b 25 Co 9b 8.15 .
17 Co 9b 26 Co 9b 11.75 .
17 Co 9b 27 Co 9b 7.79 .
17 Co 9b 28 Co 3a 11.75 .
17 Co 9b 29 Co 3a 7.79 .
17 Co 9b 30 Co 3a 9.71 .
17 Co 9b 31 Co 3a 6.22 .
17 Co 9b 32 Co 3a 11.51 .
17 Co 9b 33 Co 3a 8.15 .
17 Co 9b 34 Si 3a 2.59 .
17 Co 9b 35 Si 3a 5.64 .
17 Co 9b 36 Si 3a 10.15 .
18 Co 9b 19 Co 9b 4.70 .
18 Co 9b 20 Co 9b 2.35 .
18 Co 9b 21 Co 9b 4.07 .
18 Co 9b 22 Co 9b 2.33 .
18 Co 9b 23 Co 9b 6.22 .
18 Co 9b 24 Co 9b 2.35 .
18 Co 9b 25 Co 9b 4.07 .
18 Co 9b 26 Co 9b 8.15 .
18 Co 9b 27 Co 9b 11.51 .
18 Co 9b 28 Co 3a 7.79 .
18 Co 9b 29 Co 3a 11.75 .
18 Co 9b 30 Co 3a 9.67 .
18 Co 9b 31 Co 3a 9.69 .
18 Co 9b 32 Co 3a 7.79 .
18 Co 9b 33 Co 3a 11.75 .
18 Co 9b 34 Si 3a 6.19 .
18 Co 9b 35 Si 3a 2.88 .
18 Co 9b 36 Si 3a 9.41 .
19 Co 9b 20 Co 9b 4.07 .
19 Co 9b 21 Co 9b 2.36 .
19 Co 9b 22 Co 9b 2.37 .
19 Co 9b 23 Co 9b 2.35 .
19 Co 9b 24 Co 9b 4.07 .
19 Co 9b 25 Co 9b 2.36 .
19 Co 9b 26 Co 9b 4.71 .
19 Co 9b 27 Co 9b 8.15 .
19 Co 9b 28 Co 3a 4.08 .
19 Co 9b 29 Co 3a 7.79 .
19 Co 9b 30 Co 3a 6.20 .
19 Co 9b 31 Co 3a 9.69 .
19 Co 9b 32 Co 3a 4.08 .
19 Co 9b 33 Co 3a 7.79 .
19 Co 9b 34 Si 3a 10.15 .
19 Co 9b 35 Si 3a 2.59 .
19 Co 9b 36 Si 3a 5.64 .
20 Co 9b 21 Co 9b 4.70 .
20 Co 9b 22 Co 9b 2.33 .
20 Co 9b 23 Co 9b 6.22 .
20 Co 9b 24 Co 9b 2.35 .
20 Co 9b 25 Co 9b 4.07 .
20 Co 9b 26 Co 9b 7.79 .
20 Co 9b 27 Co 9b 11.75 .
20 Co 9b 28 Co 3a 8.15 .
20 Co 9b 29 Co 3a 11.51 .
20 Co 9b 30 Co 3a 9.67 .
20 Co 9b 31 Co 3a 9.69 .
20 Co 9b 32 Co 3a 7.79 .
20 Co 9b 33 Co 3a 11.75 .
20 Co 9b 34 Si 3a 6.19 .
20 Co 9b 35 Si 3a 2.88 .
20 Co 9b 36 Si 3a 9.41 .
21 Co 9b 22 Co 9b 2.37 .
21 Co 9b 23 Co 9b 2.35 .
21 Co 9b 24 Co 9b 4.07 .
21 Co 9b 25 Co 9b 2.36 .
21 Co 9b 26 Co 9b 4.08 .
21 Co 9b 27 Co 9b 7.79 .
21 Co 9b 28 Co 3a 4.71 .
21 Co 9b 29 Co 3a 8.15 .
21 Co 9b 30 Co 3a 6.20 .
21 Co 9b 31 Co 3a 9.69 .
21 Co 9b 32 Co 3a 4.08 .
21 Co 9b 33 Co 3a 7.79 .
21 Co 9b 34 Si 3a 10.15 .
21 Co 9b 35 Si 3a 2.59 .
21 Co 9b 36 Si 3a 5.64 .
22 Co 9b 23 Co 9b 4.73 .
22 Co 9b 24 Co 9b 2.33 .
22 Co 9b 25 Co 9b 2.37 .
22 Co 9b 26 Co 9b 6.24 .
22 Co 9b 27 Co 9b 9.71 .
22 Co 9b 28 Co 3a 6.24 .
22 Co 9b 29 Co 3a 9.71 .
22 Co 9b 30 Co 3a 8.15 .
22 Co 9b 31 Co 3a 11.49 .
22 Co 9b 32 Co 3a 6.24 .
22 Co 9b 33 Co 3a 9.71 .
22 Co 9b 34 Si 3a 8.39 .
22 Co 9b 35 Si 3a 2.74 .
22 Co 9b 36 Si 3a 7.41 .
23 Co 9b 24 Co 9b 6.22 .
23 Co 9b 25 Co 9b 2.35 .
23 Co 9b 26 Co 9b 2.36 .
23 Co 9b 27 Co 9b 6.22 .
23 Co 9b 28 Co 3a 2.36 .
23 Co 9b 29 Co 3a 6.22 .
23 Co 9b 30 Co 3a 4.70 .
23 Co 9b 31 Co 3a 8.15 .
23 Co 9b 32 Co 3a 2.36 .
23 Co 9b 33 Co 3a 6.22 .
23 Co 9b 34 Si 3a 11.56 .
23 Co 9b 35 Si 3a 4.11 .
23 Co 9b 36 Si 3a 4.49 .
24 Co 9b 25 Co 9b 4.70 .
24 Co 9b 26 Co 9b 7.79 .
24 Co 9b 27 Co 9b 11.75 .
24 Co 9b 28 Co 3a 7.79 .
24 Co 9b 29 Co 3a 11.75 .
24 Co 9b 30 Co 3a 9.67 .
24 Co 9b 31 Co 3a 9.69 .
24 Co 9b 32 Co 3a 8.15 .
24 Co 9b 33 Co 3a 11.51 .
24 Co 9b 34 Si 3a 6.19 .
24 Co 9b 35 Si 3a 2.88 .
24 Co 9b 36 Si 3a 9.41 .
25 Co 9b 26 Co 9b 4.08 .
25 Co 9b 27 Co 9b 7.79 .
25 Co 9b 28 Co 3a 4.08 .
25 Co 9b 29 Co 3a 7.79 .
25 Co 9b 30 Co 3a 6.20 .
25 Co 9b 31 Co 3a 9.69 .
25 Co 9b 32 Co 3a 4.71 .
25 Co 9b 33 Co 3a 8.15 .
25 Co 9b 34 Si 3a 10.15 .
25 Co 9b 35 Si 3a 2.59 .
25 Co 9b 36 Si 3a 5.64 .
26 Co 9b 27 Co 9b 4.70 .
26 Co 9b 28 Co 3a 2.35 .
26 Co 9b 29 Co 3a 4.07 .
26 Co 9b 30 Co 3a 2.33 .
26 Co 9b 31 Co 3a 6.22 .
26 Co 9b 32 Co 3a 2.35 .
26 Co 9b 33 Co 3a 4.07 .
26 Co 9b 34 Si 3a 9.41 .
26 Co 9b 35 Si 3a 6.19 .
26 Co 9b 36 Si 3a 2.88 .
27 Co 9b 28 Co 3a 4.07 .
27 Co 9b 29 Co 3a 2.36 .
27 Co 9b 30 Co 3a 2.37 .
27 Co 9b 31 Co 3a 2.35 .
27 Co 9b 32 Co 3a 4.07 .
27 Co 9b 33 Co 3a 2.36 .
27 Co 9b 34 Si 3a 5.64 .
27 Co 9b 35 Si 3a 10.15 .
27 Co 9b 36 Si 3a 2.59 .
28 Co 3a 29 Co 3a 4.70 .
28 Co 3a 30 Co 3a 2.33 .
28 Co 3a 31 Co 3a 6.22 .
28 Co 3a 32 Co 3a 2.35 .
28 Co 3a 33 Co 3a 4.07 .
28 Co 3a 34 Si 3a 9.41 .
28 Co 3a 35 Si 3a 6.19 .
28 Co 3a 36 Si 3a 2.88 .
29 Co 3a 30 Co 3a 2.37 .
29 Co 3a 31 Co 3a 2.35 .
29 Co 3a 32 Co 3a 4.07 .
29 Co 3a 33 Co 3a 2.36 .
29 Co 3a 34 Si 3a 5.64 .
29 Co 3a 35 Si 3a 10.15 .
29 Co 3a 36 Si 3a 2.59 .
30 Co 3a 31 Co 3a 4.73 .
30 Co 3a 32 Co 3a 2.33 .
30 Co 3a 33 Co 3a 2.37 .
30 Co 3a 34 Si 3a 7.41 .
30 Co 3a 35 Si 3a 8.39 .
30 Co 3a 36 Si 3a 2.74 .
31 Co 3a 32 Co 3a 6.22 .
31 Co 3a 33 Co 3a 2.35 .
31 Co 3a 34 Si 3a 4.49 .
31 Co 3a 35 Si 3a 11.56 .
31 Co 3a 36 Si 3a 4.11 .
32 Co 3a 33 Co 3a 4.70 .
32 Co 3a 34 Si 3a 9.41 .
32 Co 3a 35 Si 3a 6.19 .
32 Co 3a 36 Si 3a 2.88 .
33 Co 3a 34 Si 3a 5.64 .
33 Co 3a 35 Si 3a 10.15 .
33 Co 3a 36 Si 3a 2.59 .
34 Si 3a 35 Si 3a 8.15 .
34 Si 3a 36 Si 3a 8.15 .
35 Si 3a 36 Si 3a 8.15 .
Jij: magnetic exchange parameter between site i and j (Individual Jij values are temporarily not available while we perform maintenance.)
Export data (under construction)
  • csv
  • json
  • yaml
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-1220858
You can download and use the data of this database for your scientific work, provided that you express proper acknowledgements: