Material:

Sc5(Co2Si5)2

ID:

MMD-2020

Explore database:

Compounds with the same formula: Sc5(Co2Si5)2 (1 entry found)
Compounds with the same elements: Sc-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

tetragonal

Space group number

127

Hermann-Mauguin

P4/mbm

Hall

-P 4 2ab

Point group

4/mmm

Structure data:

Normalized formula

Sc5(Co2Si5)2

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

7

Structure search

MP

Lattice parameters:

a (Å)

12.0126

b (Å)

12.0126

c (Å)

3.9413

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

568.743

Density (g/cm3)

4.329

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-742.5 meV/atom

Formation energy above hull

0 meV, (stable)

Phase diagram:

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

Related structures:

Compounds with the same formula: Sc5(Co2Si5)2

1 entry found

Compounds with the same elements: Sc-Co-Si

11 entries found

Binary compounds in Sc-Co system

4 entries found

Binary compounds in Sc-Si system

No entries found

Binary compounds in Co-Si system

17 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

non-magnetic

Total magnetic moment

0.00 μB/cell

Averaged magnetic moment

0.00 μB/atom

Magnetic polarization, Js = μ0Ms

0.00 T (= 0.0 emu/cm3)
Data for the Curie temperature are not available for this entry.
Data for the magnetic anisotropy are not available for this entry.

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

index species w x y z m (μB) Esoc100 (meV) Esoc001 (meV)
1 Sc 2a 0.000000 0.000000 0.000000 -0.00 . .
2 Sc 2a 0.500000 0.500000 0.000000 -0.00 . .
3 Sc 4h 0.676231 0.176231 0.500000 -0.00 . .
4 Sc 4h 0.176231 0.323769 0.500000 -0.00 . .
5 Sc 4h 0.823769 0.676231 0.500000 -0.00 . .
6 Sc 4h 0.323769 0.823769 0.500000 -0.00 . .
7 Sc 4h 0.888457 0.388457 0.500000 -0.00 . .
8 Sc 4h 0.388457 0.111543 0.500000 -0.00 . .
9 Sc 4h 0.611543 0.888457 0.500000 -0.00 . .
10 Sc 4h 0.111543 0.611543 0.500000 -0.00 . .
11 Co 8i 0.524313 0.254043 0.000000 0.00 . .
12 Co 8i 0.254043 0.475687 0.000000 0.00 . .
13 Co 8i 0.745957 0.524313 0.000000 0.00 . .
14 Co 8i 0.475687 0.745957 0.000000 0.00 . .
15 Co 8i 0.975687 0.754043 0.000000 0.00 . .
16 Co 8i 0.024313 0.245957 0.000000 0.00 . .
17 Co 8i 0.754043 0.024313 0.000000 0.00 . .
18 Co 8i 0.245957 0.975687 0.000000 0.00 . .
19 Si 4g 0.568171 0.068171 0.000000 0.00 . .
20 Si 4g 0.068171 0.431829 0.000000 0.00 . .
21 Si 4g 0.931829 0.568171 0.000000 0.00 . .
22 Si 4g 0.431829 0.931829 0.000000 0.00 . .
23 Si 8i 0.198057 0.156803 0.000000 0.00 . .
24 Si 8i 0.156803 0.801943 0.000000 0.00 . .
25 Si 8i 0.843197 0.198057 0.000000 0.00 . .
26 Si 8i 0.801943 0.843197 0.000000 0.00 . .
27 Si 8i 0.301943 0.656803 0.000000 0.00 . .
28 Si 8i 0.698057 0.343197 0.000000 0.00 . .
29 Si 8i 0.656803 0.698057 0.000000 0.00 . .
30 Si 8i 0.343197 0.301943 0.000000 0.00 . .
31 Si 8j 0.002009 0.163734 0.500000 -0.00 . .
32 Si 8j 0.163734 0.997991 0.500000 -0.00 . .
33 Si 8j 0.836266 0.002009 0.500000 -0.00 . .
34 Si 8j 0.997991 0.836266 0.500000 -0.00 . .
35 Si 8j 0.497991 0.663734 0.500000 -0.00 . .
36 Si 8j 0.502009 0.336266 0.500000 -0.00 . .
37 Si 8j 0.663734 0.502009 0.500000 -0.00 . .
38 Si 8j 0.336266 0.497991 0.500000 -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 Sc 2a 2 Sc 2a 8.49 .
1 Sc 2a 3 Sc 4h 4.85 .
1 Sc 2a 4 Sc 4h 4.85 .
1 Sc 2a 5 Sc 4h 4.85 .
1 Sc 2a 6 Sc 4h 4.85 .
1 Sc 2a 7 Sc 4h 5.24 .
1 Sc 2a 8 Sc 4h 5.24 .
1 Sc 2a 9 Sc 4h 5.24 .
1 Sc 2a 10 Sc 4h 5.24 .
1 Sc 2a 11 Co 8i 6.48 .
1 Sc 2a 12 Co 8i 6.48 .
1 Sc 2a 13 Co 8i 6.48 .
1 Sc 2a 14 Co 8i 6.48 .
1 Sc 2a 15 Co 8i 2.97 .
1 Sc 2a 16 Co 8i 2.97 .
1 Sc 2a 17 Co 8i 2.97 .
1 Sc 2a 18 Co 8i 2.97 .
1 Sc 2a 19 Si 4g 5.25 .
1 Sc 2a 20 Si 4g 5.25 .
1 Sc 2a 21 Si 4g 5.25 .
1 Sc 2a 22 Si 4g 5.25 .
1 Sc 2a 23 Si 8i 3.03 .
1 Sc 2a 24 Si 8i 3.03 .
1 Sc 2a 25 Si 8i 3.03 .
1 Sc 2a 26 Si 8i 3.03 .
1 Sc 2a 27 Si 8i 5.49 .
1 Sc 2a 28 Si 8i 5.49 .
1 Sc 2a 29 Si 8i 5.49 .
1 Sc 2a 30 Si 8i 5.49 .
1 Sc 2a 31 Si 8j 2.78 .
1 Sc 2a 32 Si 8j 2.78 .
1 Sc 2a 33 Si 8j 2.78 .
1 Sc 2a 34 Si 8j 2.78 .
1 Sc 2a 35 Si 8j 7.48 .
1 Sc 2a 36 Si 8j 7.48 .
1 Sc 2a 37 Si 8j 7.48 .
1 Sc 2a 38 Si 8j 7.48 .
2 Sc 2a 3 Sc 4h 4.85 .
2 Sc 2a 4 Sc 4h 4.85 .
2 Sc 2a 5 Sc 4h 4.85 .
2 Sc 2a 6 Sc 4h 4.85 .
2 Sc 2a 7 Sc 4h 5.24 .
2 Sc 2a 8 Sc 4h 5.24 .
2 Sc 2a 9 Sc 4h 5.24 .
2 Sc 2a 10 Sc 4h 5.24 .
2 Sc 2a 11 Co 8i 2.97 .
2 Sc 2a 12 Co 8i 2.97 .
2 Sc 2a 13 Co 8i 2.97 .
2 Sc 2a 14 Co 8i 2.97 .
2 Sc 2a 15 Co 8i 6.48 .
2 Sc 2a 16 Co 8i 6.48 .
2 Sc 2a 17 Co 8i 6.48 .
2 Sc 2a 18 Co 8i 6.48 .
2 Sc 2a 19 Si 4g 5.25 .
2 Sc 2a 20 Si 4g 5.25 .
2 Sc 2a 21 Si 4g 5.25 .
2 Sc 2a 22 Si 4g 5.25 .
2 Sc 2a 23 Si 8i 5.49 .
2 Sc 2a 24 Si 8i 5.49 .
2 Sc 2a 25 Si 8i 5.49 .
2 Sc 2a 26 Si 8i 5.49 .
2 Sc 2a 27 Si 8i 3.03 .
2 Sc 2a 28 Si 8i 3.03 .
2 Sc 2a 29 Si 8i 3.03 .
2 Sc 2a 30 Si 8i 3.03 .
2 Sc 2a 31 Si 8j 7.48 .
2 Sc 2a 32 Si 8j 7.48 .
2 Sc 2a 33 Si 8j 7.48 .
2 Sc 2a 34 Si 8j 7.48 .
2 Sc 2a 35 Si 8j 2.78 .
2 Sc 2a 36 Si 8j 2.78 .
2 Sc 2a 37 Si 8j 2.78 .
2 Sc 2a 38 Si 8j 2.78 .
3 Sc 4h 4 Sc 4h 6.26 .
3 Sc 4h 5 Sc 4h 6.26 .
3 Sc 4h 6 Sc 4h 5.99 .
3 Sc 4h 7 Sc 4h 3.61 .
3 Sc 4h 8 Sc 4h 3.54 .
3 Sc 4h 9 Sc 4h 3.54 .
3 Sc 4h 10 Sc 4h 7.40 .
3 Sc 4h 11 Co 8i 2.84 .
3 Sc 4h 12 Co 8i 6.52 .
3 Sc 4h 13 Co 8i 4.70 .
3 Sc 4h 14 Co 8i 6.03 .
3 Sc 4h 15 Co 8i 6.52 .
3 Sc 4h 16 Co 8i 4.70 .
3 Sc 4h 17 Co 8i 2.84 .
3 Sc 4h 18 Co 8i 6.03 .
3 Sc 4h 19 Si 4g 2.69 .
3 Sc 4h 20 Si 4g 5.96 .
3 Sc 4h 21 Si 4g 5.96 .
3 Sc 4h 22 Si 4g 4.60 .
3 Sc 4h 23 Si 8i 6.08 .
3 Sc 4h 24 Si 8i 7.58 .
3 Sc 4h 25 Si 8i 2.82 .
3 Sc 4h 26 Si 8i 4.71 .
3 Sc 4h 27 Si 8i 7.58 .
3 Sc 4h 28 Si 8i 2.82 .
3 Sc 4h 29 Si 8i 6.08 .
3 Sc 4h 30 Si 8i 4.71 .
3 Sc 4h 31 Si 8j 3.92 .
3 Sc 4h 32 Si 8j 6.24 .
3 Sc 4h 33 Si 8j 2.84 .
3 Sc 4h 34 Si 8j 5.62 .
3 Sc 4h 35 Si 8j 6.24 .
3 Sc 4h 36 Si 8j 2.84 .
3 Sc 4h 37 Si 8j 3.92 .
3 Sc 4h 38 Si 8j 5.62 .
4 Sc 4h 5 Sc 4h 5.99 .
4 Sc 4h 6 Sc 4h 6.26 .
4 Sc 4h 7 Sc 4h 3.54 .
4 Sc 4h 8 Sc 4h 3.61 .
4 Sc 4h 9 Sc 4h 7.40 .
4 Sc 4h 10 Sc 4h 3.54 .
4 Sc 4h 11 Co 8i 4.70 .
4 Sc 4h 12 Co 8i 2.84 .
4 Sc 4h 13 Co 8i 6.03 .
4 Sc 4h 14 Co 8i 6.52 .
4 Sc 4h 15 Co 8i 6.03 .
4 Sc 4h 16 Co 8i 2.84 .
4 Sc 4h 17 Co 8i 6.52 .
4 Sc 4h 18 Co 8i 4.70 .
4 Sc 4h 19 Si 4g 5.96 .
4 Sc 4h 20 Si 4g 2.69 .
4 Sc 4h 21 Si 4g 4.60 .
4 Sc 4h 22 Si 4g 5.96 .
4 Sc 4h 23 Si 8i 2.82 .
4 Sc 4h 24 Si 8i 6.08 .
4 Sc 4h 25 Si 8i 4.71 .
4 Sc 4h 26 Si 8i 7.58 .
4 Sc 4h 27 Si 8i 4.71 .
4 Sc 4h 28 Si 8i 6.08 .
4 Sc 4h 29 Si 8i 7.58 .
4 Sc 4h 30 Si 8i 2.82 .
4 Sc 4h 31 Si 8j 2.84 .
4 Sc 4h 32 Si 8j 3.92 .
4 Sc 4h 33 Si 8j 5.62 .
4 Sc 4h 34 Si 8j 6.24 .
4 Sc 4h 35 Si 8j 5.62 .
4 Sc 4h 36 Si 8j 3.92 .
4 Sc 4h 37 Si 8j 6.24 .
4 Sc 4h 38 Si 8j 2.84 .
5 Sc 4h 6 Sc 4h 6.26 .
5 Sc 4h 7 Sc 4h 3.54 .
5 Sc 4h 8 Sc 4h 7.40 .
5 Sc 4h 9 Sc 4h 3.61 .
5 Sc 4h 10 Sc 4h 3.54 .
5 Sc 4h 11 Co 8i 6.52 .
5 Sc 4h 12 Co 8i 6.03 .
5 Sc 4h 13 Co 8i 2.84 .
5 Sc 4h 14 Co 8i 4.70 .
5 Sc 4h 15 Co 8i 2.84 .
5 Sc 4h 16 Co 8i 6.03 .
5 Sc 4h 17 Co 8i 4.70 .
5 Sc 4h 18 Co 8i 6.52 .
5 Sc 4h 19 Si 4g 5.96 .
5 Sc 4h 20 Si 4g 4.60 .
5 Sc 4h 21 Si 4g 2.69 .
5 Sc 4h 22 Si 4g 5.96 .
5 Sc 4h 23 Si 8i 7.58 .
5 Sc 4h 24 Si 8i 4.71 .
5 Sc 4h 25 Si 8i 6.08 .
5 Sc 4h 26 Si 8i 2.82 .
5 Sc 4h 27 Si 8i 6.08 .
5 Sc 4h 28 Si 8i 4.71 .
5 Sc 4h 29 Si 8i 2.82 .
5 Sc 4h 30 Si 8i 7.58 .
5 Sc 4h 31 Si 8j 6.24 .
5 Sc 4h 32 Si 8j 5.62 .
5 Sc 4h 33 Si 8j 3.92 .
5 Sc 4h 34 Si 8j 2.84 .
5 Sc 4h 35 Si 8j 3.92 .
5 Sc 4h 36 Si 8j 5.62 .
5 Sc 4h 37 Si 8j 2.84 .
5 Sc 4h 38 Si 8j 6.24 .
6 Sc 4h 7 Sc 4h 7.40 .
6 Sc 4h 8 Sc 4h 3.54 .
6 Sc 4h 9 Sc 4h 3.54 .
6 Sc 4h 10 Sc 4h 3.61 .
6 Sc 4h 11 Co 8i 6.03 .
6 Sc 4h 12 Co 8i 4.70 .
6 Sc 4h 13 Co 8i 6.52 .
6 Sc 4h 14 Co 8i 2.84 .
6 Sc 4h 15 Co 8i 4.70 .
6 Sc 4h 16 Co 8i 6.52 .
6 Sc 4h 17 Co 8i 6.03 .
6 Sc 4h 18 Co 8i 2.84 .
6 Sc 4h 19 Si 4g 4.60 .
6 Sc 4h 20 Si 4g 5.96 .
6 Sc 4h 21 Si 4g 5.96 .
6 Sc 4h 22 Si 4g 2.69 .
6 Sc 4h 23 Si 8i 4.71 .
6 Sc 4h 24 Si 8i 2.82 .
6 Sc 4h 25 Si 8i 7.58 .
6 Sc 4h 26 Si 8i 6.08 .
6 Sc 4h 27 Si 8i 2.82 .
6 Sc 4h 28 Si 8i 7.58 .
6 Sc 4h 29 Si 8i 4.71 .
6 Sc 4h 30 Si 8i 6.08 .
6 Sc 4h 31 Si 8j 5.62 .
6 Sc 4h 32 Si 8j 2.84 .
6 Sc 4h 33 Si 8j 6.24 .
6 Sc 4h 34 Si 8j 3.92 .
6 Sc 4h 35 Si 8j 2.84 .
6 Sc 4h 36 Si 8j 6.24 .
6 Sc 4h 37 Si 8j 5.62 .
6 Sc 4h 38 Si 8j 3.92 .
7 Sc 4h 8 Sc 4h 6.87 .
7 Sc 4h 9 Sc 4h 6.87 .
7 Sc 4h 10 Sc 4h 3.79 .
7 Sc 4h 11 Co 8i 5.06 .
7 Sc 4h 12 Co 8i 4.93 .
7 Sc 4h 13 Co 8i 3.08 .
7 Sc 4h 14 Co 8i 6.85 .
7 Sc 4h 15 Co 8i 4.93 .
7 Sc 4h 16 Co 8i 3.08 .
7 Sc 4h 17 Co 8i 5.06 .
7 Sc 4h 18 Co 8i 6.85 .
7 Sc 4h 19 Si 4g 5.79 .
7 Sc 4h 20 Si 4g 2.97 .
7 Sc 4h 21 Si 4g 2.97 .
7 Sc 4h 22 Si 4g 8.00 .
7 Sc 4h 23 Si 8i 5.05 .
7 Sc 4h 24 Si 8i 6.24 .
7 Sc 4h 25 Si 8i 3.07 .
7 Sc 4h 26 Si 8i 5.90 .
7 Sc 4h 27 Si 8i 6.24 .
7 Sc 4h 28 Si 8i 3.07 .
7 Sc 4h 29 Si 8i 5.05 .
7 Sc 4h 30 Si 8i 5.90 .
7 Sc 4h 31 Si 8j 3.02 .
7 Sc 4h 32 Si 8j 5.74 .
7 Sc 4h 33 Si 8j 4.68 .
7 Sc 4h 34 Si 8j 5.54 .
7 Sc 4h 35 Si 8j 5.74 .
7 Sc 4h 36 Si 8j 4.68 .
7 Sc 4h 37 Si 8j 3.02 .
7 Sc 4h 38 Si 8j 5.54 .
8 Sc 4h 9 Sc 4h 3.79 .
8 Sc 4h 10 Sc 4h 6.87 .
8 Sc 4h 11 Co 8i 3.08 .
8 Sc 4h 12 Co 8i 5.06 .
8 Sc 4h 13 Co 8i 6.85 .
8 Sc 4h 14 Co 8i 4.93 .
8 Sc 4h 15 Co 8i 6.85 .
8 Sc 4h 16 Co 8i 5.06 .
8 Sc 4h 17 Co 8i 4.93 .
8 Sc 4h 18 Co 8i 3.08 .
8 Sc 4h 19 Si 4g 2.97 .
8 Sc 4h 20 Si 4g 5.79 .
8 Sc 4h 21 Si 4g 8.00 .
8 Sc 4h 22 Si 4g 2.97 .
8 Sc 4h 23 Si 8i 3.07 .
8 Sc 4h 24 Si 8i 5.05 .
8 Sc 4h 25 Si 8i 5.90 .
8 Sc 4h 26 Si 8i 6.24 .
8 Sc 4h 27 Si 8i 5.90 .
8 Sc 4h 28 Si 8i 5.05 .
8 Sc 4h 29 Si 8i 6.24 .
8 Sc 4h 30 Si 8i 3.07 .
8 Sc 4h 31 Si 8j 4.68 .
8 Sc 4h 32 Si 8j 3.02 .
8 Sc 4h 33 Si 8j 5.54 .
8 Sc 4h 34 Si 8j 5.74 .
8 Sc 4h 35 Si 8j 5.54 .
8 Sc 4h 36 Si 8j 3.02 .
8 Sc 4h 37 Si 8j 5.74 .
8 Sc 4h 38 Si 8j 4.68 .
9 Sc 4h 10 Sc 4h 6.87 .
9 Sc 4h 11 Co 8i 4.93 .
9 Sc 4h 12 Co 8i 6.85 .
9 Sc 4h 13 Co 8i 5.06 .
9 Sc 4h 14 Co 8i 3.08 .
9 Sc 4h 15 Co 8i 5.06 .
9 Sc 4h 16 Co 8i 6.85 .
9 Sc 4h 17 Co 8i 3.08 .
9 Sc 4h 18 Co 8i 4.93 .
9 Sc 4h 19 Si 4g 2.97 .
9 Sc 4h 20 Si 4g 8.00 .
9 Sc 4h 21 Si 4g 5.79 .
9 Sc 4h 22 Si 4g 2.97 .
9 Sc 4h 23 Si 8i 6.24 .
9 Sc 4h 24 Si 8i 5.90 .
9 Sc 4h 25 Si 8i 5.05 .
9 Sc 4h 26 Si 8i 3.07 .
9 Sc 4h 27 Si 8i 5.05 .
9 Sc 4h 28 Si 8i 5.90 .
9 Sc 4h 29 Si 8i 3.07 .
9 Sc 4h 30 Si 8i 6.24 .
9 Sc 4h 31 Si 8j 5.74 .
9 Sc 4h 32 Si 8j 5.54 .
9 Sc 4h 33 Si 8j 3.02 .
9 Sc 4h 34 Si 8j 4.68 .
9 Sc 4h 35 Si 8j 3.02 .
9 Sc 4h 36 Si 8j 5.54 .
9 Sc 4h 37 Si 8j 4.68 .
9 Sc 4h 38 Si 8j 5.74 .
10 Sc 4h 11 Co 8i 6.85 .
10 Sc 4h 12 Co 8i 3.08 .
10 Sc 4h 13 Co 8i 4.93 .
10 Sc 4h 14 Co 8i 5.06 .
10 Sc 4h 15 Co 8i 3.08 .
10 Sc 4h 16 Co 8i 4.93 .
10 Sc 4h 17 Co 8i 6.85 .
10 Sc 4h 18 Co 8i 5.06 .
10 Sc 4h 19 Si 4g 8.00 .
10 Sc 4h 20 Si 4g 2.97 .
10 Sc 4h 21 Si 4g 2.97 .
10 Sc 4h 22 Si 4g 5.79 .
10 Sc 4h 23 Si 8i 5.90 .
10 Sc 4h 24 Si 8i 3.07 .
10 Sc 4h 25 Si 8i 6.24 .
10 Sc 4h 26 Si 8i 5.05 .
10 Sc 4h 27 Si 8i 3.07 .
10 Sc 4h 28 Si 8i 6.24 .
10 Sc 4h 29 Si 8i 5.90 .
10 Sc 4h 30 Si 8i 5.05 .
10 Sc 4h 31 Si 8j 5.54 .
10 Sc 4h 32 Si 8j 4.68 .
10 Sc 4h 33 Si 8j 5.74 .
10 Sc 4h 34 Si 8j 3.02 .
10 Sc 4h 35 Si 8j 4.68 .
10 Sc 4h 36 Si 8j 5.74 .
10 Sc 4h 37 Si 8j 5.54 .
10 Sc 4h 38 Si 8j 3.02 .
11 Co 8i 12 Co 8i 4.20 .
11 Co 8i 13 Co 8i 4.20 .
11 Co 8i 14 Co 8i 5.94 .
11 Co 8i 15 Co 8i 8.09 .
11 Co 8i 16 Co 8i 6.01 .
11 Co 8i 17 Co 8i 3.90 .
11 Co 8i 18 Co 8i 4.73 .
11 Co 8i 19 Si 4g 2.29 .
11 Co 8i 20 Si 4g 5.88 .
11 Co 8i 21 Si 4g 6.18 .
11 Co 8i 22 Si 4g 4.03 .
11 Co 8i 23 Si 8i 4.09 .
11 Co 8i 24 Si 8i 7.00 .
11 Co 8i 25 Si 8i 3.89 .
11 Co 8i 26 Si 8i 5.96 .
11 Co 8i 27 Si 8i 5.53 .
11 Co 8i 28 Si 8i 2.35 .
11 Co 8i 29 Si 8i 5.57 .
11 Co 8i 30 Si 8i 2.25 .
11 Co 8i 31 Si 8j 6.16 .
11 Co 8i 32 Si 8j 5.67 .
11 Co 8i 33 Si 8j 5.21 .
11 Co 8i 34 Si 8j 7.84 .
11 Co 8i 35 Si 8j 5.31 .
11 Co 8i 36 Si 8j 2.22 .
11 Co 8i 37 Si 8j 3.94 .
11 Co 8i 38 Si 8j 4.19 .
12 Co 8i 13 Co 8i 5.94 .
12 Co 8i 14 Co 8i 4.20 .
12 Co 8i 15 Co 8i 4.73 .
12 Co 8i 16 Co 8i 3.90 .
12 Co 8i 17 Co 8i 8.09 .
12 Co 8i 18 Co 8i 6.01 .
12 Co 8i 19 Si 4g 6.18 .
12 Co 8i 20 Si 4g 2.29 .
12 Co 8i 21 Si 4g 4.03 .
12 Co 8i 22 Si 4g 5.88 .
12 Co 8i 23 Si 8i 3.89 .
12 Co 8i 24 Si 8i 4.09 .
12 Co 8i 25 Si 8i 5.96 .
12 Co 8i 26 Si 8i 7.00 .
12 Co 8i 27 Si 8i 2.25 .
12 Co 8i 28 Si 8i 5.57 .
12 Co 8i 29 Si 8i 5.53 .
12 Co 8i 30 Si 8i 2.35 .
12 Co 8i 31 Si 8j 5.21 .
12 Co 8i 32 Si 8j 6.16 .
12 Co 8i 33 Si 8j 7.84 .
12 Co 8i 34 Si 8j 5.67 .
12 Co 8i 35 Si 8j 4.19 .
12 Co 8i 36 Si 8j 3.94 .
12 Co 8i 37 Si 8j 5.31 .
12 Co 8i 38 Si 8j 2.22 .
13 Co 8i 14 Co 8i 4.20 .
13 Co 8i 15 Co 8i 3.90 .
13 Co 8i 16 Co 8i 4.73 .
13 Co 8i 17 Co 8i 6.01 .
13 Co 8i 18 Co 8i 8.09 .
13 Co 8i 19 Si 4g 5.88 .
13 Co 8i 20 Si 4g 4.03 .
13 Co 8i 21 Si 4g 2.29 .
13 Co 8i 22 Si 4g 6.18 .
13 Co 8i 23 Si 8i 7.00 .
13 Co 8i 24 Si 8i 5.96 .
13 Co 8i 25 Si 8i 4.09 .
13 Co 8i 26 Si 8i 3.89 .
13 Co 8i 27 Si 8i 5.57 .
13 Co 8i 28 Si 8i 2.25 .
13 Co 8i 29 Si 8i 2.35 .
13 Co 8i 30 Si 8i 5.53 .
13 Co 8i 31 Si 8j 5.67 .
13 Co 8i 32 Si 8j 7.84 .
13 Co 8i 33 Si 8j 6.16 .
13 Co 8i 34 Si 8j 5.21 .
13 Co 8i 35 Si 8j 3.94 .
13 Co 8i 36 Si 8j 4.19 .
13 Co 8i 37 Si 8j 2.22 .
13 Co 8i 38 Si 8j 5.31 .
14 Co 8i 15 Co 8i 6.01 .
14 Co 8i 16 Co 8i 8.09 .
14 Co 8i 17 Co 8i 4.73 .
14 Co 8i 18 Co 8i 3.90 .
14 Co 8i 19 Si 4g 4.03 .
14 Co 8i 20 Si 4g 6.18 .
14 Co 8i 21 Si 4g 5.88 .
14 Co 8i 22 Si 4g 2.29 .
14 Co 8i 23 Si 8i 5.96 .
14 Co 8i 24 Si 8i 3.89 .
14 Co 8i 25 Si 8i 7.00 .
14 Co 8i 26 Si 8i 4.09 .
14 Co 8i 27 Si 8i 2.35 .
14 Co 8i 28 Si 8i 5.53 .
14 Co 8i 29 Si 8i 2.25 .
14 Co 8i 30 Si 8i 5.57 .
14 Co 8i 31 Si 8j 7.84 .
14 Co 8i 32 Si 8j 5.21 .
14 Co 8i 33 Si 8j 5.67 .
14 Co 8i 34 Si 8j 6.16 .
14 Co 8i 35 Si 8j 2.22 .
14 Co 8i 36 Si 8j 5.31 .
14 Co 8i 37 Si 8j 4.19 .
14 Co 8i 38 Si 8j 3.94 .
15 Co 8i 16 Co 8i 5.94 .
15 Co 8i 17 Co 8i 4.20 .
15 Co 8i 18 Co 8i 4.20 .
15 Co 8i 19 Si 4g 6.18 .
15 Co 8i 20 Si 4g 4.03 .
15 Co 8i 21 Si 4g 2.29 .
15 Co 8i 22 Si 4g 5.88 .
15 Co 8i 23 Si 8i 5.53 .
15 Co 8i 24 Si 8i 2.25 .
15 Co 8i 25 Si 8i 5.57 .
15 Co 8i 26 Si 8i 2.35 .
15 Co 8i 27 Si 8i 4.09 .
15 Co 8i 28 Si 8i 5.96 .
15 Co 8i 29 Si 8i 3.89 .
15 Co 8i 30 Si 8i 7.00 .
15 Co 8i 31 Si 8j 5.31 .
15 Co 8i 32 Si 8j 4.19 .
15 Co 8i 33 Si 8j 3.94 .
15 Co 8i 34 Si 8j 2.22 .
15 Co 8i 35 Si 8j 6.16 .
15 Co 8i 36 Si 8j 7.84 .
15 Co 8i 37 Si 8j 5.21 .
15 Co 8i 38 Si 8j 5.67 .
16 Co 8i 17 Co 8i 4.20 .
16 Co 8i 18 Co 8i 4.20 .
16 Co 8i 19 Si 4g 5.88 .
16 Co 8i 20 Si 4g 2.29 .
16 Co 8i 21 Si 4g 4.03 .
16 Co 8i 22 Si 4g 6.18 .
16 Co 8i 23 Si 8i 2.35 .
16 Co 8i 24 Si 8i 5.57 .
16 Co 8i 25 Si 8i 2.25 .
16 Co 8i 26 Si 8i 5.53 .
16 Co 8i 27 Si 8i 5.96 .
16 Co 8i 28 Si 8i 4.09 .
16 Co 8i 29 Si 8i 7.00 .
16 Co 8i 30 Si 8i 3.89 .
16 Co 8i 31 Si 8j 2.22 .
16 Co 8i 32 Si 8j 3.94 .
16 Co 8i 33 Si 8j 4.19 .
16 Co 8i 34 Si 8j 5.31 .
16 Co 8i 35 Si 8j 7.84 .
16 Co 8i 36 Si 8j 6.16 .
16 Co 8i 37 Si 8j 5.67 .
16 Co 8i 38 Si 8j 5.21 .
17 Co 8i 18 Co 8i 5.94 .
17 Co 8i 19 Si 4g 2.29 .
17 Co 8i 20 Si 4g 6.18 .
17 Co 8i 21 Si 4g 5.88 .
17 Co 8i 22 Si 4g 4.03 .
17 Co 8i 23 Si 8i 5.57 .
17 Co 8i 24 Si 8i 5.53 .
17 Co 8i 25 Si 8i 2.35 .
17 Co 8i 26 Si 8i 2.25 .
17 Co 8i 27 Si 8i 7.00 .
17 Co 8i 28 Si 8i 3.89 .
17 Co 8i 29 Si 8i 4.09 .
17 Co 8i 30 Si 8i 5.96 .
17 Co 8i 31 Si 8j 3.94 .
17 Co 8i 32 Si 8j 5.31 .
17 Co 8i 33 Si 8j 2.22 .
17 Co 8i 34 Si 8j 4.19 .
17 Co 8i 35 Si 8j 5.67 .
17 Co 8i 36 Si 8j 5.21 .
17 Co 8i 37 Si 8j 6.16 .
17 Co 8i 38 Si 8j 7.84 .
18 Co 8i 19 Si 4g 4.03 .
18 Co 8i 20 Si 4g 5.88 .
18 Co 8i 21 Si 4g 6.18 .
18 Co 8i 22 Si 4g 2.29 .
18 Co 8i 23 Si 8i 2.25 .
18 Co 8i 24 Si 8i 2.35 .
18 Co 8i 25 Si 8i 5.53 .
18 Co 8i 26 Si 8i 5.57 .
18 Co 8i 27 Si 8i 3.89 .
18 Co 8i 28 Si 8i 7.00 .
18 Co 8i 29 Si 8i 5.96 .
18 Co 8i 30 Si 8i 4.09 .
18 Co 8i 31 Si 8j 4.19 .
18 Co 8i 32 Si 8j 2.22 .
18 Co 8i 33 Si 8j 5.31 .
18 Co 8i 34 Si 8j 3.94 .
18 Co 8i 35 Si 8j 5.21 .
18 Co 8i 36 Si 8j 5.67 .
18 Co 8i 37 Si 8j 7.84 .
18 Co 8i 38 Si 8j 6.16 .
19 Si 4g 20 Si 4g 7.43 .
19 Si 4g 21 Si 4g 7.43 .
19 Si 4g 22 Si 4g 2.32 .
19 Si 4g 23 Si 8i 4.57 .
19 Si 4g 24 Si 8i 5.89 .
19 Si 4g 25 Si 8i 3.65 .
19 Si 4g 26 Si 8i 3.90 .
19 Si 4g 27 Si 8i 5.89 .
19 Si 4g 28 Si 8i 3.65 .
19 Si 4g 29 Si 8i 4.57 .
19 Si 4g 30 Si 8i 3.90 .
19 Si 4g 31 Si 8j 5.69 .
19 Si 4g 32 Si 8j 5.31 .
19 Si 4g 33 Si 8j 3.86 .
19 Si 4g 34 Si 8j 6.19 .
19 Si 4g 35 Si 8j 5.31 .
19 Si 4g 36 Si 8j 3.86 .
19 Si 4g 37 Si 8j 5.69 .
19 Si 4g 38 Si 8j 6.19 .
20 Si 4g 21 Si 4g 2.32 .
20 Si 4g 22 Si 4g 7.43 .
20 Si 4g 23 Si 8i 3.65 .
20 Si 4g 24 Si 8i 4.57 .
20 Si 4g 25 Si 8i 3.90 .
20 Si 4g 26 Si 8i 5.89 .
20 Si 4g 27 Si 8i 3.90 .
20 Si 4g 28 Si 8i 4.57 .
20 Si 4g 29 Si 8i 5.89 .
20 Si 4g 30 Si 8i 3.65 .
20 Si 4g 31 Si 8j 3.86 .
20 Si 4g 32 Si 8j 5.69 .
20 Si 4g 33 Si 8j 6.19 .
20 Si 4g 34 Si 8j 5.31 .
20 Si 4g 35 Si 8j 6.19 .
20 Si 4g 36 Si 8j 5.69 .
20 Si 4g 37 Si 8j 5.31 .
20 Si 4g 38 Si 8j 3.86 .
21 Si 4g 22 Si 4g 7.43 .
21 Si 4g 23 Si 8i 5.89 .
21 Si 4g 24 Si 8i 3.90 .
21 Si 4g 25 Si 8i 4.57 .
21 Si 4g 26 Si 8i 3.65 .
21 Si 4g 27 Si 8i 4.57 .
21 Si 4g 28 Si 8i 3.90 .
21 Si 4g 29 Si 8i 3.65 .
21 Si 4g 30 Si 8i 5.89 .
21 Si 4g 31 Si 8j 5.31 .
21 Si 4g 32 Si 8j 6.19 .
21 Si 4g 33 Si 8j 5.69 .
21 Si 4g 34 Si 8j 3.86 .
21 Si 4g 35 Si 8j 5.69 .
21 Si 4g 36 Si 8j 6.19 .
21 Si 4g 37 Si 8j 3.86 .
21 Si 4g 38 Si 8j 5.31 .
22 Si 4g 23 Si 8i 3.90 .
22 Si 4g 24 Si 8i 3.65 .
22 Si 4g 25 Si 8i 5.89 .
22 Si 4g 26 Si 8i 4.57 .
22 Si 4g 27 Si 8i 3.65 .
22 Si 4g 28 Si 8i 5.89 .
22 Si 4g 29 Si 8i 3.90 .
22 Si 4g 30 Si 8i 4.57 .
22 Si 4g 31 Si 8j 6.19 .
22 Si 4g 32 Si 8j 3.86 .
22 Si 4g 33 Si 8j 5.31 .
22 Si 4g 34 Si 8j 5.69 .
22 Si 4g 35 Si 8j 3.86 .
22 Si 4g 36 Si 8j 5.31 .
22 Si 4g 37 Si 8j 6.19 .
22 Si 4g 38 Si 8j 5.69 .
23 Si 8i 24 Si 8i 4.29 .
23 Si 8i 25 Si 8i 4.29 .
23 Si 8i 26 Si 8i 6.07 .
23 Si 8i 27 Si 8i 6.13 .
23 Si 8i 28 Si 8i 6.41 .
23 Si 8i 29 Si 8i 7.79 .
23 Si 8i 30 Si 8i 2.47 .
23 Si 8i 31 Si 8j 3.07 .
23 Si 8i 32 Si 8j 2.77 .
23 Si 8i 33 Si 8j 5.12 .
23 Si 8i 34 Si 8j 4.95 .
23 Si 8i 35 Si 8j 7.21 .
23 Si 8i 36 Si 8j 4.68 .
23 Si 8i 37 Si 8j 7.24 .
23 Si 8i 38 Si 8j 4.84 .
24 Si 8i 25 Si 8i 6.07 .
24 Si 8i 26 Si 8i 4.29 .
24 Si 8i 27 Si 8i 2.47 .
24 Si 8i 28 Si 8i 7.79 .
24 Si 8i 29 Si 8i 6.13 .
24 Si 8i 30 Si 8i 6.41 .
24 Si 8i 31 Si 8j 5.12 .
24 Si 8i 32 Si 8j 3.07 .
24 Si 8i 33 Si 8j 4.95 .
24 Si 8i 34 Si 8j 2.77 .
24 Si 8i 35 Si 8j 4.84 .
24 Si 8i 36 Si 8j 7.24 .
24 Si 8i 37 Si 8j 7.21 .
24 Si 8i 38 Si 8j 4.68 .
25 Si 8i 26 Si 8i 4.29 .
25 Si 8i 27 Si 8i 7.79 .
25 Si 8i 28 Si 8i 2.47 .
25 Si 8i 29 Si 8i 6.41 .
25 Si 8i 30 Si 8i 6.13 .
25 Si 8i 31 Si 8j 2.77 .
25 Si 8i 32 Si 8j 4.95 .
25 Si 8i 33 Si 8j 3.07 .
25 Si 8i 34 Si 8j 5.12 .
25 Si 8i 35 Si 8j 7.24 .
25 Si 8i 36 Si 8j 4.84 .
25 Si 8i 37 Si 8j 4.68 .
25 Si 8i 38 Si 8j 7.21 .
26 Si 8i 27 Si 8i 6.41 .
26 Si 8i 28 Si 8i 6.13 .
26 Si 8i 29 Si 8i 2.47 .
26 Si 8i 30 Si 8i 7.79 .
26 Si 8i 31 Si 8j 4.95 .
26 Si 8i 32 Si 8j 5.12 .
26 Si 8i 33 Si 8j 2.77 .
26 Si 8i 34 Si 8j 3.07 .
26 Si 8i 35 Si 8j 4.68 .
26 Si 8i 36 Si 8j 7.21 .
26 Si 8i 37 Si 8j 4.84 .
26 Si 8i 38 Si 8j 7.24 .
27 Si 8i 28 Si 8i 6.07 .
27 Si 8i 29 Si 8i 4.29 .
27 Si 8i 30 Si 8i 4.29 .
27 Si 8i 31 Si 8j 7.21 .
27 Si 8i 32 Si 8j 4.84 .
27 Si 8i 33 Si 8j 7.24 .
27 Si 8i 34 Si 8j 4.68 .
27 Si 8i 35 Si 8j 3.07 .
27 Si 8i 36 Si 8j 4.95 .
27 Si 8i 37 Si 8j 5.12 .
27 Si 8i 38 Si 8j 2.77 .
28 Si 8i 29 Si 8i 4.29 .
28 Si 8i 30 Si 8i 4.29 .
28 Si 8i 31 Si 8j 4.68 .
28 Si 8i 32 Si 8j 7.24 .
28 Si 8i 33 Si 8j 4.84 .
28 Si 8i 34 Si 8j 7.21 .
28 Si 8i 35 Si 8j 4.95 .
28 Si 8i 36 Si 8j 3.07 .
28 Si 8i 37 Si 8j 2.77 .
28 Si 8i 38 Si 8j 5.12 .
29 Si 8i 30 Si 8i 6.07 .
29 Si 8i 31 Si 8j 7.24 .
29 Si 8i 32 Si 8j 7.21 .
29 Si 8i 33 Si 8j 4.68 .
29 Si 8i 34 Si 8j 4.84 .
29 Si 8i 35 Si 8j 2.77 .
29 Si 8i 36 Si 8j 5.12 .
29 Si 8i 37 Si 8j 3.07 .
29 Si 8i 38 Si 8j 4.95 .
30 Si 8i 31 Si 8j 4.84 .
30 Si 8i 32 Si 8j 4.68 .
30 Si 8i 33 Si 8j 7.21 .
30 Si 8i 34 Si 8j 7.24 .
30 Si 8i 35 Si 8j 5.12 .
30 Si 8i 36 Si 8j 2.77 .
30 Si 8i 37 Si 8j 4.95 .
30 Si 8i 38 Si 8j 3.07 .
31 Si 8j 32 Si 8j 2.78 .
31 Si 8j 33 Si 8j 2.78 .
31 Si 8j 34 Si 8j 3.93 .
31 Si 8j 35 Si 8j 8.46 .
31 Si 8j 36 Si 8j 6.35 .
31 Si 8j 37 Si 8j 5.75 .
31 Si 8j 38 Si 8j 5.68 .
32 Si 8j 33 Si 8j 3.93 .
32 Si 8j 34 Si 8j 2.78 .
32 Si 8j 35 Si 8j 5.68 .
32 Si 8j 36 Si 8j 5.75 .
32 Si 8j 37 Si 8j 8.46 .
32 Si 8j 38 Si 8j 6.35 .
33 Si 8j 34 Si 8j 2.78 .
33 Si 8j 35 Si 8j 5.75 .
33 Si 8j 36 Si 8j 5.68 .
33 Si 8j 37 Si 8j 6.35 .
33 Si 8j 38 Si 8j 8.46 .
34 Si 8j 35 Si 8j 6.35 .
34 Si 8j 36 Si 8j 8.46 .
34 Si 8j 37 Si 8j 5.68 .
34 Si 8j 38 Si 8j 5.75 .
35 Si 8j 36 Si 8j 3.93 .
35 Si 8j 37 Si 8j 2.78 .
35 Si 8j 38 Si 8j 2.78 .
36 Si 8j 37 Si 8j 2.78 .
36 Si 8j 38 Si 8j 2.78 .
37 Si 8j 38 Si 8j 3.93 .
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-542493
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