Material:

Zr4Co7Ge6

ID:

MMD-1954

Explore database:

Compounds with the same formula: Zr4Co7Ge6 (1 entry found)
Compounds with the same elements: Zr-Co-Ge (5 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

cubic

Space group number

229

Hermann-Mauguin

Im-3m

Hall

-I 4 2 3

Point group

m-3m

Structure data:

Normalized formula

Zr4Co7Ge6

The number of formula units per unit cell

2

The total number of atoms per unit cell

34

The number of inequivalent sites per unit cell

4

Structure search

MP

Lattice parameters:

a (Å)

7.8987

b (Å)

7.8987

c (Å)

7.8987

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

492.800

Density (g/cm3)

8.176

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-604.4 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: Zr4Co7Ge6

1 entry found

Compounds with the same elements: Zr-Co-Ge

5 entries found

Binary compounds in Zr-Co system

42 entries found

Binary compounds in Zr-Ge system

No entries found

Binary compounds in Co-Ge system

27 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

0.01 μB/cell

Averaged magnetic moment

0.00 μB/atom

Magnetic polarization, Js = μ0Ms

0.00 T (= 0.0 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 Zr 8c 0.750000 0.750000 0.750000 -0.00 . .
2 Zr 8c 0.750000 0.250000 0.750000 -0.00 . .
3 Zr 8c 0.250000 0.250000 0.750000 -0.00 . .
4 Zr 8c 0.750000 0.250000 0.250000 -0.00 . .
5 Zr 8c 0.250000 0.250000 0.250000 -0.00 . .
6 Zr 8c 0.250000 0.750000 0.250000 -0.00 . .
7 Zr 8c 0.750000 0.750000 0.250000 -0.00 . .
8 Zr 8c 0.250000 0.750000 0.750000 -0.00 . .
9 Co 2a 0.000000 0.000000 0.000000 0.00 . .
10 Co 2a 0.000000 0.250000 0.500000 -0.00 . .
11 Co 12d 0.750000 0.500000 0.000000 -0.00 . .
12 Co 12d 0.750000 0.000000 0.500000 -0.00 . .
13 Co 12d 0.500000 0.000000 0.750000 -0.00 . .
14 Co 12d 0.000000 0.500000 0.750000 -0.00 . .
15 Co 12d 0.500000 0.250000 0.000000 -0.00 . .
16 Co 12d 0.500000 0.500000 0.500000 0.00 . .
17 Co 12d 0.500000 0.750000 0.000000 -0.00 . .
18 Co 12d 0.250000 0.000000 0.500000 -0.00 . .
19 Co 12d 0.250000 0.500000 0.000000 -0.00 . .
20 Co 12d 0.000000 0.500000 0.250000 -0.00 . .
21 Co 12d 0.500000 0.000000 0.250000 -0.00 . .
22 Co 12d 0.000000 0.750000 0.500000 -0.00 . .
23 Ge 12e 0.000000 0.000000 0.680719 0.00 . .
24 Ge 12e 0.000000 0.680719 0.000000 0.00 . .
25 Ge 12e 0.000000 0.000000 0.319281 0.00 . .
26 Ge 12e 0.680719 0.000000 0.000000 0.00 . .
27 Ge 12e 0.000000 0.319281 0.000000 0.00 . .
28 Ge 12e 0.319281 0.000000 0.000000 0.00 . .
29 Ge 12e 0.500000 0.500000 0.180719 0.00 . .
30 Ge 12e 0.500000 0.180719 0.500000 0.00 . .
31 Ge 12e 0.500000 0.500000 0.819281 0.00 . .
32 Ge 12e 0.180719 0.500000 0.500000 0.00 . .
33 Ge 12e 0.500000 0.819281 0.500000 0.00 . .
34 Ge 12e 0.819281 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 Zr 8c 2 Zr 8c 3.95 .
1 Zr 8c 3 Zr 8c 5.59 .
1 Zr 8c 4 Zr 8c 5.59 .
1 Zr 8c 5 Zr 8c 6.84 .
1 Zr 8c 6 Zr 8c 5.59 .
1 Zr 8c 7 Zr 8c 3.95 .
1 Zr 8c 8 Zr 8c 3.95 .
1 Zr 8c 9 Co 2a 3.42 .
1 Zr 8c 10 Co 2a 4.84 .
1 Zr 8c 11 Co 12d 2.79 .
1 Zr 8c 12 Co 12d 2.79 .
1 Zr 8c 13 Co 12d 2.79 .
1 Zr 8c 14 Co 12d 2.79 .
1 Zr 8c 15 Co 12d 4.84 .
1 Zr 8c 16 Co 12d 3.42 .
1 Zr 8c 17 Co 12d 2.79 .
1 Zr 8c 18 Co 12d 4.84 .
1 Zr 8c 19 Co 12d 4.84 .
1 Zr 8c 20 Co 12d 4.84 .
1 Zr 8c 21 Co 12d 4.84 .
1 Zr 8c 22 Co 12d 2.79 .
1 Zr 8c 23 Ge 12e 2.85 .
1 Zr 8c 24 Ge 12e 2.85 .
1 Zr 8c 25 Ge 12e 4.40 .
1 Zr 8c 26 Ge 12e 2.85 .
1 Zr 8c 27 Ge 12e 4.40 .
1 Zr 8c 28 Ge 12e 4.40 .
1 Zr 8c 29 Ge 12e 4.40 .
1 Zr 8c 30 Ge 12e 4.40 .
1 Zr 8c 31 Ge 12e 2.85 .
1 Zr 8c 32 Ge 12e 4.40 .
1 Zr 8c 33 Ge 12e 2.85 .
1 Zr 8c 34 Ge 12e 2.85 .
2 Zr 8c 3 Zr 8c 3.95 .
2 Zr 8c 4 Zr 8c 3.95 .
2 Zr 8c 5 Zr 8c 5.59 .
2 Zr 8c 6 Zr 8c 6.84 .
2 Zr 8c 7 Zr 8c 5.59 .
2 Zr 8c 8 Zr 8c 5.59 .
2 Zr 8c 9 Co 2a 3.42 .
2 Zr 8c 10 Co 2a 2.79 .
2 Zr 8c 11 Co 12d 2.79 .
2 Zr 8c 12 Co 12d 2.79 .
2 Zr 8c 13 Co 12d 2.79 .
2 Zr 8c 14 Co 12d 2.79 .
2 Zr 8c 15 Co 12d 2.79 .
2 Zr 8c 16 Co 12d 3.42 .
2 Zr 8c 17 Co 12d 4.84 .
2 Zr 8c 18 Co 12d 4.84 .
2 Zr 8c 19 Co 12d 4.84 .
2 Zr 8c 20 Co 12d 4.84 .
2 Zr 8c 21 Co 12d 4.84 .
2 Zr 8c 22 Co 12d 4.84 .
2 Zr 8c 23 Ge 12e 2.85 .
2 Zr 8c 24 Ge 12e 4.40 .
2 Zr 8c 25 Ge 12e 4.40 .
2 Zr 8c 26 Ge 12e 2.85 .
2 Zr 8c 27 Ge 12e 2.85 .
2 Zr 8c 28 Ge 12e 4.40 .
2 Zr 8c 29 Ge 12e 4.40 .
2 Zr 8c 30 Ge 12e 2.85 .
2 Zr 8c 31 Ge 12e 2.85 .
2 Zr 8c 32 Ge 12e 4.40 .
2 Zr 8c 33 Ge 12e 4.40 .
2 Zr 8c 34 Ge 12e 2.85 .
3 Zr 8c 4 Zr 8c 5.59 .
3 Zr 8c 5 Zr 8c 3.95 .
3 Zr 8c 6 Zr 8c 5.59 .
3 Zr 8c 7 Zr 8c 6.84 .
3 Zr 8c 8 Zr 8c 3.95 .
3 Zr 8c 9 Co 2a 3.42 .
3 Zr 8c 10 Co 2a 2.79 .
3 Zr 8c 11 Co 12d 4.84 .
3 Zr 8c 12 Co 12d 4.84 .
3 Zr 8c 13 Co 12d 2.79 .
3 Zr 8c 14 Co 12d 2.79 .
3 Zr 8c 15 Co 12d 2.79 .
3 Zr 8c 16 Co 12d 3.42 .
3 Zr 8c 17 Co 12d 4.84 .
3 Zr 8c 18 Co 12d 2.79 .
3 Zr 8c 19 Co 12d 2.79 .
3 Zr 8c 20 Co 12d 4.84 .
3 Zr 8c 21 Co 12d 4.84 .
3 Zr 8c 22 Co 12d 4.84 .
3 Zr 8c 23 Ge 12e 2.85 .
3 Zr 8c 24 Ge 12e 4.40 .
3 Zr 8c 25 Ge 12e 4.40 .
3 Zr 8c 26 Ge 12e 4.40 .
3 Zr 8c 27 Ge 12e 2.85 .
3 Zr 8c 28 Ge 12e 2.85 .
3 Zr 8c 29 Ge 12e 4.40 .
3 Zr 8c 30 Ge 12e 2.85 .
3 Zr 8c 31 Ge 12e 2.85 .
3 Zr 8c 32 Ge 12e 2.85 .
3 Zr 8c 33 Ge 12e 4.40 .
3 Zr 8c 34 Ge 12e 4.40 .
4 Zr 8c 5 Zr 8c 3.95 .
4 Zr 8c 6 Zr 8c 5.59 .
4 Zr 8c 7 Zr 8c 3.95 .
4 Zr 8c 8 Zr 8c 6.84 .
4 Zr 8c 9 Co 2a 3.42 .
4 Zr 8c 10 Co 2a 2.79 .
4 Zr 8c 11 Co 12d 2.79 .
4 Zr 8c 12 Co 12d 2.79 .
4 Zr 8c 13 Co 12d 4.84 .
4 Zr 8c 14 Co 12d 4.84 .
4 Zr 8c 15 Co 12d 2.79 .
4 Zr 8c 16 Co 12d 3.42 .
4 Zr 8c 17 Co 12d 4.84 .
4 Zr 8c 18 Co 12d 4.84 .
4 Zr 8c 19 Co 12d 4.84 .
4 Zr 8c 20 Co 12d 2.79 .
4 Zr 8c 21 Co 12d 2.79 .
4 Zr 8c 22 Co 12d 4.84 .
4 Zr 8c 23 Ge 12e 4.40 .
4 Zr 8c 24 Ge 12e 4.40 .
4 Zr 8c 25 Ge 12e 2.85 .
4 Zr 8c 26 Ge 12e 2.85 .
4 Zr 8c 27 Ge 12e 2.85 .
4 Zr 8c 28 Ge 12e 4.40 .
4 Zr 8c 29 Ge 12e 2.85 .
4 Zr 8c 30 Ge 12e 2.85 .
4 Zr 8c 31 Ge 12e 4.40 .
4 Zr 8c 32 Ge 12e 4.40 .
4 Zr 8c 33 Ge 12e 4.40 .
4 Zr 8c 34 Ge 12e 2.85 .
5 Zr 8c 6 Zr 8c 3.95 .
5 Zr 8c 7 Zr 8c 5.59 .
5 Zr 8c 8 Zr 8c 5.59 .
5 Zr 8c 9 Co 2a 3.42 .
5 Zr 8c 10 Co 2a 2.79 .
5 Zr 8c 11 Co 12d 4.84 .
5 Zr 8c 12 Co 12d 4.84 .
5 Zr 8c 13 Co 12d 4.84 .
5 Zr 8c 14 Co 12d 4.84 .
5 Zr 8c 15 Co 12d 2.79 .
5 Zr 8c 16 Co 12d 3.42 .
5 Zr 8c 17 Co 12d 4.84 .
5 Zr 8c 18 Co 12d 2.79 .
5 Zr 8c 19 Co 12d 2.79 .
5 Zr 8c 20 Co 12d 2.79 .
5 Zr 8c 21 Co 12d 2.79 .
5 Zr 8c 22 Co 12d 4.84 .
5 Zr 8c 23 Ge 12e 4.40 .
5 Zr 8c 24 Ge 12e 4.40 .
5 Zr 8c 25 Ge 12e 2.85 .
5 Zr 8c 26 Ge 12e 4.40 .
5 Zr 8c 27 Ge 12e 2.85 .
5 Zr 8c 28 Ge 12e 2.85 .
5 Zr 8c 29 Ge 12e 2.85 .
5 Zr 8c 30 Ge 12e 2.85 .
5 Zr 8c 31 Ge 12e 4.40 .
5 Zr 8c 32 Ge 12e 2.85 .
5 Zr 8c 33 Ge 12e 4.40 .
5 Zr 8c 34 Ge 12e 4.40 .
6 Zr 8c 7 Zr 8c 3.95 .
6 Zr 8c 8 Zr 8c 3.95 .
6 Zr 8c 9 Co 2a 3.42 .
6 Zr 8c 10 Co 2a 4.84 .
6 Zr 8c 11 Co 12d 4.84 .
6 Zr 8c 12 Co 12d 4.84 .
6 Zr 8c 13 Co 12d 4.84 .
6 Zr 8c 14 Co 12d 4.84 .
6 Zr 8c 15 Co 12d 4.84 .
6 Zr 8c 16 Co 12d 3.42 .
6 Zr 8c 17 Co 12d 2.79 .
6 Zr 8c 18 Co 12d 2.79 .
6 Zr 8c 19 Co 12d 2.79 .
6 Zr 8c 20 Co 12d 2.79 .
6 Zr 8c 21 Co 12d 2.79 .
6 Zr 8c 22 Co 12d 2.79 .
6 Zr 8c 23 Ge 12e 4.40 .
6 Zr 8c 24 Ge 12e 2.85 .
6 Zr 8c 25 Ge 12e 2.85 .
6 Zr 8c 26 Ge 12e 4.40 .
6 Zr 8c 27 Ge 12e 4.40 .
6 Zr 8c 28 Ge 12e 2.85 .
6 Zr 8c 29 Ge 12e 2.85 .
6 Zr 8c 30 Ge 12e 4.40 .
6 Zr 8c 31 Ge 12e 4.40 .
6 Zr 8c 32 Ge 12e 2.85 .
6 Zr 8c 33 Ge 12e 2.85 .
6 Zr 8c 34 Ge 12e 4.40 .
7 Zr 8c 8 Zr 8c 5.59 .
7 Zr 8c 9 Co 2a 3.42 .
7 Zr 8c 10 Co 2a 4.84 .
7 Zr 8c 11 Co 12d 2.79 .
7 Zr 8c 12 Co 12d 2.79 .
7 Zr 8c 13 Co 12d 4.84 .
7 Zr 8c 14 Co 12d 4.84 .
7 Zr 8c 15 Co 12d 4.84 .
7 Zr 8c 16 Co 12d 3.42 .
7 Zr 8c 17 Co 12d 2.79 .
7 Zr 8c 18 Co 12d 4.84 .
7 Zr 8c 19 Co 12d 4.84 .
7 Zr 8c 20 Co 12d 2.79 .
7 Zr 8c 21 Co 12d 2.79 .
7 Zr 8c 22 Co 12d 2.79 .
7 Zr 8c 23 Ge 12e 4.40 .
7 Zr 8c 24 Ge 12e 2.85 .
7 Zr 8c 25 Ge 12e 2.85 .
7 Zr 8c 26 Ge 12e 2.85 .
7 Zr 8c 27 Ge 12e 4.40 .
7 Zr 8c 28 Ge 12e 4.40 .
7 Zr 8c 29 Ge 12e 2.85 .
7 Zr 8c 30 Ge 12e 4.40 .
7 Zr 8c 31 Ge 12e 4.40 .
7 Zr 8c 32 Ge 12e 4.40 .
7 Zr 8c 33 Ge 12e 2.85 .
7 Zr 8c 34 Ge 12e 2.85 .
8 Zr 8c 9 Co 2a 3.42 .
8 Zr 8c 10 Co 2a 4.84 .
8 Zr 8c 11 Co 12d 4.84 .
8 Zr 8c 12 Co 12d 4.84 .
8 Zr 8c 13 Co 12d 2.79 .
8 Zr 8c 14 Co 12d 2.79 .
8 Zr 8c 15 Co 12d 4.84 .
8 Zr 8c 16 Co 12d 3.42 .
8 Zr 8c 17 Co 12d 2.79 .
8 Zr 8c 18 Co 12d 2.79 .
8 Zr 8c 19 Co 12d 2.79 .
8 Zr 8c 20 Co 12d 4.84 .
8 Zr 8c 21 Co 12d 4.84 .
8 Zr 8c 22 Co 12d 2.79 .
8 Zr 8c 23 Ge 12e 2.85 .
8 Zr 8c 24 Ge 12e 2.85 .
8 Zr 8c 25 Ge 12e 4.40 .
8 Zr 8c 26 Ge 12e 4.40 .
8 Zr 8c 27 Ge 12e 4.40 .
8 Zr 8c 28 Ge 12e 2.85 .
8 Zr 8c 29 Ge 12e 4.40 .
8 Zr 8c 30 Ge 12e 4.40 .
8 Zr 8c 31 Ge 12e 2.85 .
8 Zr 8c 32 Ge 12e 2.85 .
8 Zr 8c 33 Ge 12e 2.85 .
8 Zr 8c 34 Ge 12e 4.40 .
9 Co 2a 10 Co 2a 4.42 .
9 Co 2a 11 Co 12d 4.42 .
9 Co 2a 12 Co 12d 4.42 .
9 Co 2a 13 Co 12d 4.42 .
9 Co 2a 14 Co 12d 4.42 .
9 Co 2a 15 Co 12d 4.42 .
9 Co 2a 16 Co 12d 6.84 .
9 Co 2a 17 Co 12d 4.42 .
9 Co 2a 18 Co 12d 4.42 .
9 Co 2a 19 Co 12d 4.42 .
9 Co 2a 20 Co 12d 4.42 .
9 Co 2a 21 Co 12d 4.42 .
9 Co 2a 22 Co 12d 4.42 .
9 Co 2a 23 Ge 12e 2.52 .
9 Co 2a 24 Ge 12e 2.52 .
9 Co 2a 25 Ge 12e 2.52 .
9 Co 2a 26 Ge 12e 2.52 .
9 Co 2a 27 Ge 12e 2.52 .
9 Co 2a 28 Ge 12e 2.52 .
9 Co 2a 29 Ge 12e 5.76 .
9 Co 2a 30 Ge 12e 5.76 .
9 Co 2a 31 Ge 12e 5.76 .
9 Co 2a 32 Ge 12e 5.76 .
9 Co 2a 33 Ge 12e 5.76 .
9 Co 2a 34 Ge 12e 5.76 .
10 Co 2a 11 Co 12d 4.84 .
10 Co 2a 12 Co 12d 2.79 .
10 Co 2a 13 Co 12d 4.84 .
10 Co 2a 14 Co 12d 2.79 .
10 Co 2a 15 Co 12d 5.59 .
10 Co 2a 16 Co 12d 4.42 .
10 Co 2a 17 Co 12d 6.84 .
10 Co 2a 18 Co 12d 2.79 .
10 Co 2a 19 Co 12d 4.84 .
10 Co 2a 20 Co 12d 2.79 .
10 Co 2a 21 Co 12d 4.84 .
10 Co 2a 22 Co 12d 3.95 .
10 Co 2a 23 Ge 12e 2.44 .
10 Co 2a 24 Ge 12e 5.21 .
10 Co 2a 25 Ge 12e 2.44 .
10 Co 2a 26 Ge 12e 5.08 .
10 Co 2a 27 Ge 12e 3.99 .
10 Co 2a 28 Ge 12e 5.08 .
10 Co 2a 29 Ge 12e 5.08 .
10 Co 2a 30 Ge 12e 3.99 .
10 Co 2a 31 Ge 12e 5.08 .
10 Co 2a 32 Ge 12e 2.44 .
10 Co 2a 33 Ge 12e 5.21 .
10 Co 2a 34 Ge 12e 2.44 .
11 Co 12d 12 Co 12d 5.59 .
11 Co 12d 13 Co 12d 4.84 .
11 Co 12d 14 Co 12d 2.79 .
11 Co 12d 15 Co 12d 2.79 .
11 Co 12d 16 Co 12d 4.42 .
11 Co 12d 17 Co 12d 2.79 .
11 Co 12d 18 Co 12d 6.84 .
11 Co 12d 19 Co 12d 3.95 .
11 Co 12d 20 Co 12d 2.79 .
11 Co 12d 21 Co 12d 4.84 .
11 Co 12d 22 Co 12d 4.84 .
11 Co 12d 23 Ge 12e 5.08 .
11 Co 12d 24 Ge 12e 2.44 .
11 Co 12d 25 Ge 12e 5.08 .
11 Co 12d 26 Ge 12e 3.99 .
11 Co 12d 27 Ge 12e 2.44 .
11 Co 12d 28 Ge 12e 5.21 .
11 Co 12d 29 Ge 12e 2.44 .
11 Co 12d 30 Ge 12e 5.08 .
11 Co 12d 31 Ge 12e 2.44 .
11 Co 12d 32 Ge 12e 5.21 .
11 Co 12d 33 Ge 12e 5.08 .
11 Co 12d 34 Ge 12e 3.99 .
12 Co 12d 13 Co 12d 2.79 .
12 Co 12d 14 Co 12d 4.84 .
12 Co 12d 15 Co 12d 4.84 .
12 Co 12d 16 Co 12d 4.42 .
12 Co 12d 17 Co 12d 4.84 .
12 Co 12d 18 Co 12d 3.95 .
12 Co 12d 19 Co 12d 6.84 .
12 Co 12d 20 Co 12d 4.84 .
12 Co 12d 21 Co 12d 2.79 .
12 Co 12d 22 Co 12d 2.79 .
12 Co 12d 23 Ge 12e 2.44 .
12 Co 12d 24 Ge 12e 5.08 .
12 Co 12d 25 Ge 12e 2.44 .
12 Co 12d 26 Ge 12e 3.99 .
12 Co 12d 27 Ge 12e 5.08 .
12 Co 12d 28 Ge 12e 5.21 .
12 Co 12d 29 Ge 12e 5.08 .
12 Co 12d 30 Ge 12e 2.44 .
12 Co 12d 31 Ge 12e 5.08 .
12 Co 12d 32 Ge 12e 5.21 .
12 Co 12d 33 Ge 12e 2.44 .
12 Co 12d 34 Ge 12e 3.99 .
13 Co 12d 14 Co 12d 5.59 .
13 Co 12d 15 Co 12d 2.79 .
13 Co 12d 16 Co 12d 4.42 .
13 Co 12d 17 Co 12d 2.79 .
13 Co 12d 18 Co 12d 2.79 .
13 Co 12d 19 Co 12d 4.84 .
13 Co 12d 20 Co 12d 6.84 .
13 Co 12d 21 Co 12d 3.95 .
13 Co 12d 22 Co 12d 4.84 .
13 Co 12d 23 Ge 12e 3.99 .
13 Co 12d 24 Ge 12e 5.08 .
13 Co 12d 25 Ge 12e 5.21 .
13 Co 12d 26 Ge 12e 2.44 .
13 Co 12d 27 Ge 12e 5.08 .
13 Co 12d 28 Ge 12e 2.44 .
13 Co 12d 29 Ge 12e 5.21 .
13 Co 12d 30 Ge 12e 2.44 .
13 Co 12d 31 Ge 12e 3.99 .
13 Co 12d 32 Ge 12e 5.08 .
13 Co 12d 33 Ge 12e 2.44 .
13 Co 12d 34 Ge 12e 5.08 .
14 Co 12d 15 Co 12d 4.84 .
14 Co 12d 16 Co 12d 4.42 .
14 Co 12d 17 Co 12d 4.84 .
14 Co 12d 18 Co 12d 4.84 .
14 Co 12d 19 Co 12d 2.79 .
14 Co 12d 20 Co 12d 3.95 .
14 Co 12d 21 Co 12d 6.84 .
14 Co 12d 22 Co 12d 2.79 .
14 Co 12d 23 Ge 12e 3.99 .
14 Co 12d 24 Ge 12e 2.44 .
14 Co 12d 25 Ge 12e 5.21 .
14 Co 12d 26 Ge 12e 5.08 .
14 Co 12d 27 Ge 12e 2.44 .
14 Co 12d 28 Ge 12e 5.08 .
14 Co 12d 29 Ge 12e 5.21 .
14 Co 12d 30 Ge 12e 5.08 .
14 Co 12d 31 Ge 12e 3.99 .
14 Co 12d 32 Ge 12e 2.44 .
14 Co 12d 33 Ge 12e 5.08 .
14 Co 12d 34 Ge 12e 2.44 .
15 Co 12d 16 Co 12d 4.42 .
15 Co 12d 17 Co 12d 3.95 .
15 Co 12d 18 Co 12d 4.84 .
15 Co 12d 19 Co 12d 2.79 .
15 Co 12d 20 Co 12d 4.84 .
15 Co 12d 21 Co 12d 2.79 .
15 Co 12d 22 Co 12d 6.84 .
15 Co 12d 23 Ge 12e 5.08 .
15 Co 12d 24 Ge 12e 5.21 .
15 Co 12d 25 Ge 12e 5.08 .
15 Co 12d 26 Ge 12e 2.44 .
15 Co 12d 27 Ge 12e 3.99 .
15 Co 12d 28 Ge 12e 2.44 .
15 Co 12d 29 Ge 12e 2.44 .
15 Co 12d 30 Ge 12e 3.99 .
15 Co 12d 31 Ge 12e 2.44 .
15 Co 12d 32 Ge 12e 5.08 .
15 Co 12d 33 Ge 12e 5.21 .
15 Co 12d 34 Ge 12e 5.08 .
16 Co 12d 17 Co 12d 4.42 .
16 Co 12d 18 Co 12d 4.42 .
16 Co 12d 19 Co 12d 4.42 .
16 Co 12d 20 Co 12d 4.42 .
16 Co 12d 21 Co 12d 4.42 .
16 Co 12d 22 Co 12d 4.42 .
16 Co 12d 23 Ge 12e 5.76 .
16 Co 12d 24 Ge 12e 5.76 .
16 Co 12d 25 Ge 12e 5.76 .
16 Co 12d 26 Ge 12e 5.76 .
16 Co 12d 27 Ge 12e 5.76 .
16 Co 12d 28 Ge 12e 5.76 .
16 Co 12d 29 Ge 12e 2.52 .
16 Co 12d 30 Ge 12e 2.52 .
16 Co 12d 31 Ge 12e 2.52 .
16 Co 12d 32 Ge 12e 2.52 .
16 Co 12d 33 Ge 12e 2.52 .
16 Co 12d 34 Ge 12e 2.52 .
17 Co 12d 18 Co 12d 4.84 .
17 Co 12d 19 Co 12d 2.79 .
17 Co 12d 20 Co 12d 4.84 .
17 Co 12d 21 Co 12d 2.79 .
17 Co 12d 22 Co 12d 5.59 .
17 Co 12d 23 Ge 12e 5.08 .
17 Co 12d 24 Ge 12e 3.99 .
17 Co 12d 25 Ge 12e 5.08 .
17 Co 12d 26 Ge 12e 2.44 .
17 Co 12d 27 Ge 12e 5.21 .
17 Co 12d 28 Ge 12e 2.44 .
17 Co 12d 29 Ge 12e 2.44 .
17 Co 12d 30 Ge 12e 5.21 .
17 Co 12d 31 Ge 12e 2.44 .
17 Co 12d 32 Ge 12e 5.08 .
17 Co 12d 33 Ge 12e 3.99 .
17 Co 12d 34 Ge 12e 5.08 .
18 Co 12d 19 Co 12d 5.59 .
18 Co 12d 20 Co 12d 4.84 .
18 Co 12d 21 Co 12d 2.79 .
18 Co 12d 22 Co 12d 2.79 .
18 Co 12d 23 Ge 12e 2.44 .
18 Co 12d 24 Ge 12e 5.08 .
18 Co 12d 25 Ge 12e 2.44 .
18 Co 12d 26 Ge 12e 5.21 .
18 Co 12d 27 Ge 12e 5.08 .
18 Co 12d 28 Ge 12e 3.99 .
18 Co 12d 29 Ge 12e 5.08 .
18 Co 12d 30 Ge 12e 2.44 .
18 Co 12d 31 Ge 12e 5.08 .
18 Co 12d 32 Ge 12e 3.99 .
18 Co 12d 33 Ge 12e 2.44 .
18 Co 12d 34 Ge 12e 5.21 .
19 Co 12d 20 Co 12d 2.79 .
19 Co 12d 21 Co 12d 4.84 .
19 Co 12d 22 Co 12d 4.84 .
19 Co 12d 23 Ge 12e 5.08 .
19 Co 12d 24 Ge 12e 2.44 .
19 Co 12d 25 Ge 12e 5.08 .
19 Co 12d 26 Ge 12e 5.21 .
19 Co 12d 27 Ge 12e 2.44 .
19 Co 12d 28 Ge 12e 3.99 .
19 Co 12d 29 Ge 12e 2.44 .
19 Co 12d 30 Ge 12e 5.08 .
19 Co 12d 31 Ge 12e 2.44 .
19 Co 12d 32 Ge 12e 3.99 .
19 Co 12d 33 Ge 12e 5.08 .
19 Co 12d 34 Ge 12e 5.21 .
20 Co 12d 21 Co 12d 5.59 .
20 Co 12d 22 Co 12d 2.79 .
20 Co 12d 23 Ge 12e 5.21 .
20 Co 12d 24 Ge 12e 2.44 .
20 Co 12d 25 Ge 12e 3.99 .
20 Co 12d 26 Ge 12e 5.08 .
20 Co 12d 27 Ge 12e 2.44 .
20 Co 12d 28 Ge 12e 5.08 .
20 Co 12d 29 Ge 12e 3.99 .
20 Co 12d 30 Ge 12e 5.08 .
20 Co 12d 31 Ge 12e 5.21 .
20 Co 12d 32 Ge 12e 2.44 .
20 Co 12d 33 Ge 12e 5.08 .
20 Co 12d 34 Ge 12e 2.44 .
21 Co 12d 22 Co 12d 4.84 .
21 Co 12d 23 Ge 12e 5.21 .
21 Co 12d 24 Ge 12e 5.08 .
21 Co 12d 25 Ge 12e 3.99 .
21 Co 12d 26 Ge 12e 2.44 .
21 Co 12d 27 Ge 12e 5.08 .
21 Co 12d 28 Ge 12e 2.44 .
21 Co 12d 29 Ge 12e 3.99 .
21 Co 12d 30 Ge 12e 2.44 .
21 Co 12d 31 Ge 12e 5.21 .
21 Co 12d 32 Ge 12e 5.08 .
21 Co 12d 33 Ge 12e 2.44 .
21 Co 12d 34 Ge 12e 5.08 .
22 Co 12d 23 Ge 12e 2.44 .
22 Co 12d 24 Ge 12e 3.99 .
22 Co 12d 25 Ge 12e 2.44 .
22 Co 12d 26 Ge 12e 5.08 .
22 Co 12d 27 Ge 12e 5.21 .
22 Co 12d 28 Ge 12e 5.08 .
22 Co 12d 29 Ge 12e 5.08 .
22 Co 12d 30 Ge 12e 5.21 .
22 Co 12d 31 Ge 12e 5.08 .
22 Co 12d 32 Ge 12e 2.44 .
22 Co 12d 33 Ge 12e 3.99 .
22 Co 12d 34 Ge 12e 2.44 .
23 Ge 12e 24 Ge 12e 3.57 .
23 Ge 12e 25 Ge 12e 2.85 .
23 Ge 12e 26 Ge 12e 3.57 .
23 Ge 12e 27 Ge 12e 3.57 .
23 Ge 12e 28 Ge 12e 3.57 .
23 Ge 12e 29 Ge 12e 6.84 .
23 Ge 12e 30 Ge 12e 4.44 .
23 Ge 12e 31 Ge 12e 5.69 .
23 Ge 12e 32 Ge 12e 4.44 .
23 Ge 12e 33 Ge 12e 4.44 .
23 Ge 12e 34 Ge 12e 4.44 .
24 Ge 12e 25 Ge 12e 3.57 .
24 Ge 12e 26 Ge 12e 3.57 .
24 Ge 12e 27 Ge 12e 2.85 .
24 Ge 12e 28 Ge 12e 3.57 .
24 Ge 12e 29 Ge 12e 4.44 .
24 Ge 12e 30 Ge 12e 6.84 .
24 Ge 12e 31 Ge 12e 4.44 .
24 Ge 12e 32 Ge 12e 4.44 .
24 Ge 12e 33 Ge 12e 5.69 .
24 Ge 12e 34 Ge 12e 4.44 .
25 Ge 12e 26 Ge 12e 3.57 .
25 Ge 12e 27 Ge 12e 3.57 .
25 Ge 12e 28 Ge 12e 3.57 .
25 Ge 12e 29 Ge 12e 5.69 .
25 Ge 12e 30 Ge 12e 4.44 .
25 Ge 12e 31 Ge 12e 6.84 .
25 Ge 12e 32 Ge 12e 4.44 .
25 Ge 12e 33 Ge 12e 4.44 .
25 Ge 12e 34 Ge 12e 4.44 .
26 Ge 12e 27 Ge 12e 3.57 .
26 Ge 12e 28 Ge 12e 2.85 .
26 Ge 12e 29 Ge 12e 4.44 .
26 Ge 12e 30 Ge 12e 4.44 .
26 Ge 12e 31 Ge 12e 4.44 .
26 Ge 12e 32 Ge 12e 6.84 .
26 Ge 12e 33 Ge 12e 4.44 .
26 Ge 12e 34 Ge 12e 5.69 .
27 Ge 12e 28 Ge 12e 3.57 .
27 Ge 12e 29 Ge 12e 4.44 .
27 Ge 12e 30 Ge 12e 5.69 .
27 Ge 12e 31 Ge 12e 4.44 .
27 Ge 12e 32 Ge 12e 4.44 .
27 Ge 12e 33 Ge 12e 6.84 .
27 Ge 12e 34 Ge 12e 4.44 .
28 Ge 12e 29 Ge 12e 4.44 .
28 Ge 12e 30 Ge 12e 4.44 .
28 Ge 12e 31 Ge 12e 4.44 .
28 Ge 12e 32 Ge 12e 5.69 .
28 Ge 12e 33 Ge 12e 4.44 .
28 Ge 12e 34 Ge 12e 6.84 .
29 Ge 12e 30 Ge 12e 3.57 .
29 Ge 12e 31 Ge 12e 2.85 .
29 Ge 12e 32 Ge 12e 3.57 .
29 Ge 12e 33 Ge 12e 3.57 .
29 Ge 12e 34 Ge 12e 3.57 .
30 Ge 12e 31 Ge 12e 3.57 .
30 Ge 12e 32 Ge 12e 3.57 .
30 Ge 12e 33 Ge 12e 2.85 .
30 Ge 12e 34 Ge 12e 3.57 .
31 Ge 12e 32 Ge 12e 3.57 .
31 Ge 12e 33 Ge 12e 3.57 .
31 Ge 12e 34 Ge 12e 3.57 .
32 Ge 12e 33 Ge 12e 3.57 .
32 Ge 12e 34 Ge 12e 2.85 .
33 Ge 12e 34 Ge 12e 3.57 .
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-18135
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