Material:

Zn13Co

ID:

MMD-1413

Explore database:

Compounds with the same formula: Zn13Co (1 entry found)
Compounds with the same elements: Zn-Co (11 entries found)
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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

Zn13Co

The number of formula units per unit cell

2

The total number of atoms per unit cell

28

The number of inequivalent sites per unit cell

6

Structure search

MP

Lattice parameters:

a (Å)

10.8284

b (Å)

7.6083

c (Å)

5.0584

α (deg.)

90.000

β (deg.)

101.451

γ (deg.)

90.000

Volume (Å3)

408.442

Density (g/cm3)

7.393

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-54.3 meV/atom

Formation energy above hull

0 meV, (stable)

Phase diagram:

Phase diagram

Related structures:

Compounds with the same formula: Zn13Co

1 entry found

Compounds with the same elements: Zn-Co

11 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 Zn 2a 0.000000 0.000000 0.000000 -0.00 . .
2 Zn 2a 0.886956 0.500000 0.070311 -0.00 . .
3 Zn 4i 0.113044 0.500000 0.929689 -0.00 . .
4 Zn 4i 0.278608 0.500000 0.627586 -0.00 . .
5 Zn 4i 0.721392 0.500000 0.372414 -0.00 . .
6 Zn 4i 0.922607 0.293583 0.682902 -0.00 . .
7 Zn 4i 0.077393 0.293583 0.317098 -0.00 . .
8 Zn 4i 0.077393 0.706417 0.317098 -0.00 . .
9 Zn 4i 0.922607 0.706417 0.682902 -0.00 . .
10 Zn 4i 0.823938 0.179292 0.198913 -0.00 . .
11 Zn 8j 0.176062 0.179292 0.801087 -0.00 . .
12 Zn 8j 0.176062 0.820708 0.801087 -0.00 . .
13 Zn 8j 0.823938 0.820708 0.198913 -0.00 . .
14 Zn 8j 0.500000 0.500000 0.000000 -0.00 . .
15 Zn 8j 0.386956 0.000000 0.070311 -0.00 . .
16 Zn 8j 0.613044 0.000000 0.929689 -0.00 . .
17 Zn 8j 0.778608 0.000000 0.627586 -0.00 . .
18 Zn 8j 0.221392 0.000000 0.372414 -0.00 . .
19 Zn 8j 0.422607 0.793583 0.682902 -0.00 . .
20 Zn 8j 0.577393 0.793583 0.317098 -0.00 . .
21 Zn 8j 0.577393 0.206417 0.317098 -0.00 . .
22 Zn 8j 0.422607 0.206417 0.682902 -0.00 . .
23 Zn 8j 0.323938 0.679292 0.198913 -0.00 . .
24 Zn 8j 0.676062 0.679292 0.801087 -0.00 . .
25 Zn 8j 0.676062 0.320708 0.801087 -0.00 . .
26 Zn 8j 0.323938 0.320708 0.198913 -0.00 . .
27 Co 2c 0.000000 0.000000 0.500000 0.00 . .
28 Co 2c 0.500000 0.500000 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 Zn 2a 2 Zn 2a 4.03 .
1 Zn 2a 3 Zn 4i 4.03 .
1 Zn 2a 4 Zn 4i 5.42 .
1 Zn 2a 5 Zn 4i 5.42 .
1 Zn 2a 6 Zn 4i 2.78 .
1 Zn 2a 7 Zn 4i 2.78 .
1 Zn 2a 8 Zn 4i 2.78 .
1 Zn 2a 9 Zn 4i 2.78 .
1 Zn 2a 10 Zn 4i 2.70 .
1 Zn 2a 11 Zn 8j 2.70 .
1 Zn 2a 12 Zn 8j 2.70 .
1 Zn 2a 13 Zn 8j 2.70 .
1 Zn 2a 14 Zn 8j 6.62 .
1 Zn 2a 15 Zn 8j 4.13 .
1 Zn 2a 16 Zn 8j 4.13 .
1 Zn 2a 17 Zn 8j 2.74 .
1 Zn 2a 18 Zn 8j 2.74 .
1 Zn 2a 19 Zn 8j 5.38 .
1 Zn 2a 20 Zn 8j 5.38 .
1 Zn 2a 21 Zn 8j 5.38 .
1 Zn 2a 22 Zn 8j 5.38 .
1 Zn 2a 23 Zn 8j 4.23 .
1 Zn 2a 24 Zn 8j 4.23 .
1 Zn 2a 25 Zn 8j 4.23 .
1 Zn 2a 26 Zn 8j 4.23 .
1 Zn 2a 27 Co 2c 2.53 .
1 Zn 2a 28 Co 2c 6.69 .
2 Zn 2a 3 Zn 4i 2.68 .
2 Zn 2a 4 Zn 4i 4.60 .
2 Zn 2a 5 Zn 4i 2.58 .
2 Zn 2a 6 Zn 4i 2.60 .
2 Zn 2a 7 Zn 4i 2.69 .
2 Zn 2a 8 Zn 4i 2.69 .
2 Zn 2a 9 Zn 4i 2.60 .
2 Zn 2a 10 Zn 4i 2.65 .
2 Zn 2a 11 Zn 8j 4.39 .
2 Zn 2a 12 Zn 8j 4.39 .
2 Zn 2a 13 Zn 8j 2.65 .
2 Zn 2a 14 Zn 8j 4.13 .
2 Zn 2a 15 Zn 8j 6.62 .
2 Zn 2a 16 Zn 8j 4.79 .
2 Zn 2a 17 Zn 8j 4.45 .
2 Zn 2a 18 Zn 8j 5.27 .
2 Zn 2a 19 Zn 8j 5.50 .
2 Zn 2a 20 Zn 8j 4.41 .
2 Zn 2a 21 Zn 8j 4.41 .
2 Zn 2a 22 Zn 8j 5.50 .
2 Zn 2a 23 Zn 8j 4.84 .
2 Zn 2a 24 Zn 8j 2.77 .
2 Zn 2a 25 Zn 8j 2.77 .
2 Zn 2a 26 Zn 8j 4.84 .
2 Zn 2a 27 Co 2c 4.43 .
2 Zn 2a 28 Co 2c 4.59 .
3 Zn 4i 4 Zn 4i 2.58 .
3 Zn 4i 5 Zn 4i 4.60 .
3 Zn 4i 6 Zn 4i 2.69 .
3 Zn 4i 7 Zn 4i 2.60 .
3 Zn 4i 8 Zn 4i 2.60 .
3 Zn 4i 9 Zn 4i 2.69 .
3 Zn 4i 10 Zn 4i 4.39 .
3 Zn 4i 11 Zn 8j 2.65 .
3 Zn 4i 12 Zn 8j 2.65 .
3 Zn 4i 13 Zn 8j 4.39 .
3 Zn 4i 14 Zn 8j 4.13 .
3 Zn 4i 15 Zn 8j 4.79 .
3 Zn 4i 16 Zn 8j 6.62 .
3 Zn 4i 17 Zn 8j 5.27 .
3 Zn 4i 18 Zn 8j 4.45 .
3 Zn 4i 19 Zn 8j 4.41 .
3 Zn 4i 20 Zn 8j 5.50 .
3 Zn 4i 21 Zn 8j 5.50 .
3 Zn 4i 22 Zn 8j 4.41 .
3 Zn 4i 23 Zn 8j 2.77 .
3 Zn 4i 24 Zn 8j 4.84 .
3 Zn 4i 25 Zn 8j 4.84 .
3 Zn 4i 26 Zn 8j 2.77 .
3 Zn 4i 27 Co 2c 4.43 .
3 Zn 4i 28 Co 2c 4.59 .
4 Zn 4i 5 Zn 4i 5.21 .
4 Zn 4i 6 Zn 4i 4.22 .
4 Zn 4i 7 Zn 4i 2.88 .
4 Zn 4i 8 Zn 4i 2.88 .
4 Zn 4i 9 Zn 4i 4.22 .
4 Zn 4i 10 Zn 4i 5.54 .
4 Zn 4i 11 Zn 8j 2.89 .
4 Zn 4i 12 Zn 8j 2.89 .
4 Zn 4i 13 Zn 8j 5.54 .
4 Zn 4i 14 Zn 8j 2.74 .
4 Zn 4i 15 Zn 8j 4.45 .
4 Zn 4i 16 Zn 8j 5.27 .
4 Zn 4i 17 Zn 8j 6.62 .
4 Zn 4i 18 Zn 8j 4.03 .
4 Zn 4i 19 Zn 8j 2.71 .
4 Zn 4i 20 Zn 8j 4.47 .
4 Zn 4i 21 Zn 8j 4.47 .
4 Zn 4i 22 Zn 8j 2.71 .
4 Zn 4i 23 Zn 8j 2.69 .
4 Zn 4i 24 Zn 8j 4.43 .
4 Zn 4i 25 Zn 8j 4.43 .
4 Zn 4i 26 Zn 8j 2.69 .
4 Zn 4i 27 Co 2c 4.82 .
4 Zn 4i 28 Co 2c 2.60 .
5 Zn 4i 6 Zn 4i 2.88 .
5 Zn 4i 7 Zn 4i 4.22 .
5 Zn 4i 8 Zn 4i 4.22 .
5 Zn 4i 9 Zn 4i 2.88 .
5 Zn 4i 10 Zn 4i 2.89 .
5 Zn 4i 11 Zn 8j 5.54 .
5 Zn 4i 12 Zn 8j 5.54 .
5 Zn 4i 13 Zn 8j 2.89 .
5 Zn 4i 14 Zn 8j 2.74 .
5 Zn 4i 15 Zn 8j 5.27 .
5 Zn 4i 16 Zn 8j 4.45 .
5 Zn 4i 17 Zn 8j 4.03 .
5 Zn 4i 18 Zn 8j 6.62 .
5 Zn 4i 19 Zn 8j 4.47 .
5 Zn 4i 20 Zn 8j 2.71 .
5 Zn 4i 21 Zn 8j 2.71 .
5 Zn 4i 22 Zn 8j 4.47 .
5 Zn 4i 23 Zn 8j 4.43 .
5 Zn 4i 24 Zn 8j 2.69 .
5 Zn 4i 25 Zn 8j 2.69 .
5 Zn 4i 26 Zn 8j 4.43 .
5 Zn 4i 27 Co 2c 4.82 .
5 Zn 4i 28 Co 2c 2.60 .
6 Zn 4i 7 Zn 4i 2.73 .
6 Zn 4i 8 Zn 4i 4.16 .
6 Zn 4i 9 Zn 4i 3.14 .
6 Zn 4i 10 Zn 4i 2.62 .
6 Zn 4i 11 Zn 8j 2.83 .
6 Zn 4i 12 Zn 8j 4.49 .
6 Zn 4i 13 Zn 8j 4.36 .
6 Zn 4i 14 Zn 8j 5.38 .
6 Zn 4i 15 Zn 8j 5.50 .
6 Zn 4i 16 Zn 8j 4.41 .
6 Zn 4i 17 Zn 8j 2.71 .
6 Zn 4i 18 Zn 8j 4.47 .
6 Zn 4i 19 Zn 8j 6.62 .
6 Zn 4i 20 Zn 8j 5.40 .
6 Zn 4i 21 Zn 8j 3.88 .
6 Zn 4i 22 Zn 8j 5.45 .
6 Zn 4i 23 Zn 8j 5.46 .
6 Zn 4i 24 Zn 8j 4.09 .
6 Zn 4i 25 Zn 8j 2.86 .
6 Zn 4i 26 Zn 8j 4.61 .
6 Zn 4i 27 Co 2c 2.62 .
6 Zn 4i 28 Co 2c 4.75 .
7 Zn 4i 8 Zn 4i 3.14 .
7 Zn 4i 9 Zn 4i 4.16 .
7 Zn 4i 10 Zn 4i 2.83 .
7 Zn 4i 11 Zn 8j 2.62 .
7 Zn 4i 12 Zn 8j 4.36 .
7 Zn 4i 13 Zn 8j 4.49 .
7 Zn 4i 14 Zn 8j 5.38 .
7 Zn 4i 15 Zn 8j 4.41 .
7 Zn 4i 16 Zn 8j 5.50 .
7 Zn 4i 17 Zn 8j 4.47 .
7 Zn 4i 18 Zn 8j 2.71 .
7 Zn 4i 19 Zn 8j 5.40 .
7 Zn 4i 20 Zn 8j 6.62 .
7 Zn 4i 21 Zn 8j 5.45 .
7 Zn 4i 22 Zn 8j 3.88 .
7 Zn 4i 23 Zn 8j 4.09 .
7 Zn 4i 24 Zn 8j 5.46 .
7 Zn 4i 25 Zn 8j 4.61 .
7 Zn 4i 26 Zn 8j 2.86 .
7 Zn 4i 27 Co 2c 2.62 .
7 Zn 4i 28 Co 2c 4.75 .
8 Zn 4i 9 Zn 4i 2.73 .
8 Zn 4i 10 Zn 4i 4.49 .
8 Zn 4i 11 Zn 8j 4.36 .
8 Zn 4i 12 Zn 8j 2.62 .
8 Zn 4i 13 Zn 8j 2.83 .
8 Zn 4i 14 Zn 8j 5.38 .
8 Zn 4i 15 Zn 8j 4.41 .
8 Zn 4i 16 Zn 8j 5.50 .
8 Zn 4i 17 Zn 8j 4.47 .
8 Zn 4i 18 Zn 8j 2.71 .
8 Zn 4i 19 Zn 8j 3.88 .
8 Zn 4i 20 Zn 8j 5.45 .
8 Zn 4i 21 Zn 8j 6.62 .
8 Zn 4i 22 Zn 8j 5.40 .
8 Zn 4i 23 Zn 8j 2.86 .
8 Zn 4i 24 Zn 8j 4.61 .
8 Zn 4i 25 Zn 8j 5.46 .
8 Zn 4i 26 Zn 8j 4.09 .
8 Zn 4i 27 Co 2c 2.62 .
8 Zn 4i 28 Co 2c 4.75 .
9 Zn 4i 10 Zn 4i 4.36 .
9 Zn 4i 11 Zn 8j 4.49 .
9 Zn 4i 12 Zn 8j 2.83 .
9 Zn 4i 13 Zn 8j 2.62 .
9 Zn 4i 14 Zn 8j 5.38 .
9 Zn 4i 15 Zn 8j 5.50 .
9 Zn 4i 16 Zn 8j 4.41 .
9 Zn 4i 17 Zn 8j 2.71 .
9 Zn 4i 18 Zn 8j 4.47 .
9 Zn 4i 19 Zn 8j 5.45 .
9 Zn 4i 20 Zn 8j 3.88 .
9 Zn 4i 21 Zn 8j 5.40 .
9 Zn 4i 22 Zn 8j 6.62 .
9 Zn 4i 23 Zn 8j 4.61 .
9 Zn 4i 24 Zn 8j 2.86 .
9 Zn 4i 25 Zn 8j 4.09 .
9 Zn 4i 26 Zn 8j 5.46 .
9 Zn 4i 27 Co 2c 2.62 .
9 Zn 4i 28 Co 2c 4.75 .
10 Zn 4i 11 Zn 8j 4.38 .
10 Zn 4i 12 Zn 8j 5.16 .
10 Zn 4i 13 Zn 8j 2.73 .
10 Zn 4i 14 Zn 8j 4.23 .
10 Zn 4i 15 Zn 8j 4.84 .
10 Zn 4i 16 Zn 8j 2.77 .
10 Zn 4i 17 Zn 8j 2.69 .
10 Zn 4i 18 Zn 8j 4.43 .
10 Zn 4i 19 Zn 8j 5.46 .
10 Zn 4i 20 Zn 8j 4.09 .
10 Zn 4i 21 Zn 8j 2.86 .
10 Zn 4i 22 Zn 8j 4.61 .
10 Zn 4i 23 Zn 8j 6.62 .
10 Zn 4i 24 Zn 8j 4.45 .
10 Zn 4i 25 Zn 8j 2.55 .
10 Zn 4i 26 Zn 8j 5.52 .
10 Zn 4i 27 Co 2c 2.58 .
10 Zn 4i 28 Co 2c 4.76 .
11 Zn 8j 12 Zn 8j 2.73 .
11 Zn 8j 13 Zn 8j 5.16 .
11 Zn 8j 14 Zn 8j 4.23 .
11 Zn 8j 15 Zn 8j 2.77 .
11 Zn 8j 16 Zn 8j 4.84 .
11 Zn 8j 17 Zn 8j 4.43 .
11 Zn 8j 18 Zn 8j 2.69 .
11 Zn 8j 19 Zn 8j 4.09 .
11 Zn 8j 20 Zn 8j 5.46 .
11 Zn 8j 21 Zn 8j 4.61 .
11 Zn 8j 22 Zn 8j 2.86 .
11 Zn 8j 23 Zn 8j 4.45 .
11 Zn 8j 24 Zn 8j 6.62 .
11 Zn 8j 25 Zn 8j 5.52 .
11 Zn 8j 26 Zn 8j 2.55 .
11 Zn 8j 27 Co 2c 2.58 .
11 Zn 8j 28 Co 2c 4.76 .
12 Zn 8j 13 Zn 8j 4.38 .
12 Zn 8j 14 Zn 8j 4.23 .
12 Zn 8j 15 Zn 8j 2.77 .
12 Zn 8j 16 Zn 8j 4.84 .
12 Zn 8j 17 Zn 8j 4.43 .
12 Zn 8j 18 Zn 8j 2.69 .
12 Zn 8j 19 Zn 8j 2.86 .
12 Zn 8j 20 Zn 8j 4.61 .
12 Zn 8j 21 Zn 8j 5.46 .
12 Zn 8j 22 Zn 8j 4.09 .
12 Zn 8j 23 Zn 8j 2.55 .
12 Zn 8j 24 Zn 8j 5.52 .
12 Zn 8j 25 Zn 8j 6.62 .
12 Zn 8j 26 Zn 8j 4.45 .
12 Zn 8j 27 Co 2c 2.58 .
12 Zn 8j 28 Co 2c 4.76 .
13 Zn 8j 14 Zn 8j 4.23 .
13 Zn 8j 15 Zn 8j 4.84 .
13 Zn 8j 16 Zn 8j 2.77 .
13 Zn 8j 17 Zn 8j 2.69 .
13 Zn 8j 18 Zn 8j 4.43 .
13 Zn 8j 19 Zn 8j 4.61 .
13 Zn 8j 20 Zn 8j 2.86 .
13 Zn 8j 21 Zn 8j 4.09 .
13 Zn 8j 22 Zn 8j 5.46 .
13 Zn 8j 23 Zn 8j 5.52 .
13 Zn 8j 24 Zn 8j 2.55 .
13 Zn 8j 25 Zn 8j 4.45 .
13 Zn 8j 26 Zn 8j 6.62 .
13 Zn 8j 27 Co 2c 2.58 .
13 Zn 8j 28 Co 2c 4.76 .
14 Zn 8j 15 Zn 8j 4.03 .
14 Zn 8j 16 Zn 8j 4.03 .
14 Zn 8j 17 Zn 8j 5.42 .
14 Zn 8j 18 Zn 8j 5.42 .
14 Zn 8j 19 Zn 8j 2.78 .
14 Zn 8j 20 Zn 8j 2.78 .
14 Zn 8j 21 Zn 8j 2.78 .
14 Zn 8j 22 Zn 8j 2.78 .
14 Zn 8j 23 Zn 8j 2.70 .
14 Zn 8j 24 Zn 8j 2.70 .
14 Zn 8j 25 Zn 8j 2.70 .
14 Zn 8j 26 Zn 8j 2.70 .
14 Zn 8j 27 Co 2c 6.69 .
14 Zn 8j 28 Co 2c 2.53 .
15 Zn 8j 16 Zn 8j 2.68 .
15 Zn 8j 17 Zn 8j 4.60 .
15 Zn 8j 18 Zn 8j 2.58 .
15 Zn 8j 19 Zn 8j 2.60 .
15 Zn 8j 20 Zn 8j 2.69 .
15 Zn 8j 21 Zn 8j 2.69 .
15 Zn 8j 22 Zn 8j 2.60 .
15 Zn 8j 23 Zn 8j 2.65 .
15 Zn 8j 24 Zn 8j 4.39 .
15 Zn 8j 25 Zn 8j 4.39 .
15 Zn 8j 26 Zn 8j 2.65 .
15 Zn 8j 27 Co 2c 4.59 .
15 Zn 8j 28 Co 2c 4.43 .
16 Zn 8j 17 Zn 8j 2.58 .
16 Zn 8j 18 Zn 8j 4.60 .
16 Zn 8j 19 Zn 8j 2.69 .
16 Zn 8j 20 Zn 8j 2.60 .
16 Zn 8j 21 Zn 8j 2.60 .
16 Zn 8j 22 Zn 8j 2.69 .
16 Zn 8j 23 Zn 8j 4.39 .
16 Zn 8j 24 Zn 8j 2.65 .
16 Zn 8j 25 Zn 8j 2.65 .
16 Zn 8j 26 Zn 8j 4.39 .
16 Zn 8j 27 Co 2c 4.59 .
16 Zn 8j 28 Co 2c 4.43 .
17 Zn 8j 18 Zn 8j 5.21 .
17 Zn 8j 19 Zn 8j 4.22 .
17 Zn 8j 20 Zn 8j 2.88 .
17 Zn 8j 21 Zn 8j 2.88 .
17 Zn 8j 22 Zn 8j 4.22 .
17 Zn 8j 23 Zn 8j 5.54 .
17 Zn 8j 24 Zn 8j 2.89 .
17 Zn 8j 25 Zn 8j 2.89 .
17 Zn 8j 26 Zn 8j 5.54 .
17 Zn 8j 27 Co 2c 2.60 .
17 Zn 8j 28 Co 2c 4.82 .
18 Zn 8j 19 Zn 8j 2.88 .
18 Zn 8j 20 Zn 8j 4.22 .
18 Zn 8j 21 Zn 8j 4.22 .
18 Zn 8j 22 Zn 8j 2.88 .
18 Zn 8j 23 Zn 8j 2.89 .
18 Zn 8j 24 Zn 8j 5.54 .
18 Zn 8j 25 Zn 8j 5.54 .
18 Zn 8j 26 Zn 8j 2.89 .
18 Zn 8j 27 Co 2c 2.60 .
18 Zn 8j 28 Co 2c 4.82 .
19 Zn 8j 20 Zn 8j 2.73 .
19 Zn 8j 21 Zn 8j 4.16 .
19 Zn 8j 22 Zn 8j 3.14 .
19 Zn 8j 23 Zn 8j 2.62 .
19 Zn 8j 24 Zn 8j 2.83 .
19 Zn 8j 25 Zn 8j 4.49 .
19 Zn 8j 26 Zn 8j 4.36 .
19 Zn 8j 27 Co 2c 4.75 .
19 Zn 8j 28 Co 2c 2.62 .
20 Zn 8j 21 Zn 8j 3.14 .
20 Zn 8j 22 Zn 8j 4.16 .
20 Zn 8j 23 Zn 8j 2.83 .
20 Zn 8j 24 Zn 8j 2.62 .
20 Zn 8j 25 Zn 8j 4.36 .
20 Zn 8j 26 Zn 8j 4.49 .
20 Zn 8j 27 Co 2c 4.75 .
20 Zn 8j 28 Co 2c 2.62 .
21 Zn 8j 22 Zn 8j 2.73 .
21 Zn 8j 23 Zn 8j 4.49 .
21 Zn 8j 24 Zn 8j 4.36 .
21 Zn 8j 25 Zn 8j 2.62 .
21 Zn 8j 26 Zn 8j 2.83 .
21 Zn 8j 27 Co 2c 4.75 .
21 Zn 8j 28 Co 2c 2.62 .
22 Zn 8j 23 Zn 8j 4.36 .
22 Zn 8j 24 Zn 8j 4.49 .
22 Zn 8j 25 Zn 8j 2.83 .
22 Zn 8j 26 Zn 8j 2.62 .
22 Zn 8j 27 Co 2c 4.75 .
22 Zn 8j 28 Co 2c 2.62 .
23 Zn 8j 24 Zn 8j 4.38 .
23 Zn 8j 25 Zn 8j 5.16 .
23 Zn 8j 26 Zn 8j 2.73 .
23 Zn 8j 27 Co 2c 4.76 .
23 Zn 8j 28 Co 2c 2.58 .
24 Zn 8j 25 Zn 8j 2.73 .
24 Zn 8j 26 Zn 8j 5.16 .
24 Zn 8j 27 Co 2c 4.76 .
24 Zn 8j 28 Co 2c 2.58 .
25 Zn 8j 26 Zn 8j 4.38 .
25 Zn 8j 27 Co 2c 4.76 .
25 Zn 8j 28 Co 2c 2.58 .
26 Zn 8j 27 Co 2c 4.76 .
26 Zn 8j 28 Co 2c 2.58 .
27 Co 2c 28 Co 2c 6.62 .
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-30568
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