Material:

Sc3Co2Ge3

ID:

MMD-1984

Explore database:

Compounds with the same formula: Sc3Co2Ge3 (1 entry found)
Compounds with the same elements: Sc-Co-Ge (6 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

orthorhombic

Space group number

63

Hermann-Mauguin

Cmcm

Hall

-C 2c 2

Point group

mmm

Structure data:

Normalized formula

Sc3Co2Ge3

The number of formula units per unit cell

4

The total number of atoms per unit cell

32

The number of inequivalent sites per unit cell

5

Structure search

MP

Lattice parameters:

a (Å)

4.0415

b (Å)

9.9036

c (Å)

13.2911

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

531.987

Density (g/cm3)

5.876

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-733.8 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: Sc3Co2Ge3

1 entry found

Compounds with the same elements: Sc-Co-Ge

6 entries found

Binary compounds in Sc-Co system

4 entries found

Binary compounds in Sc-Ge system

No entries found

Binary compounds in Co-Ge system

27 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 8f 0.000000 0.420034 0.889451 0.00 . .
2 Sc 8f 0.500000 0.079966 0.110549 0.00 . .
3 Sc 8f 0.500000 0.079966 0.389451 0.00 . .
4 Sc 8f 0.000000 0.420034 0.610549 0.00 . .
5 Sc 8f 0.000000 0.146569 0.750000 0.00 . .
6 Sc 8f 0.500000 0.353431 0.250000 0.00 . .
7 Sc 8f 0.500000 0.920034 0.889451 0.00 . .
8 Sc 8f 0.000000 0.579966 0.110549 0.00 . .
9 Sc 4c 0.000000 0.579966 0.389451 0.00 . .
10 Sc 4c 0.500000 0.920034 0.610549 0.00 . .
11 Sc 4c 0.500000 0.646569 0.750000 0.00 . .
12 Sc 4c 0.000000 0.853431 0.250000 0.00 . .
13 Co 8f 0.500000 0.209027 0.902035 0.00 . .
14 Co 8f 0.000000 0.290973 0.097965 0.00 . .
15 Co 8f 0.000000 0.290973 0.402035 0.00 . .
16 Co 8f 0.500000 0.209027 0.597965 -0.00 . .
17 Co 8f 0.000000 0.709027 0.902035 0.00 . .
18 Co 8f 0.500000 0.790973 0.097965 0.00 . .
19 Co 8f 0.500000 0.790973 0.402035 -0.00 . .
20 Co 8f 0.000000 0.709027 0.597965 0.00 . .
21 Ge 8f 0.000000 0.123204 0.960154 -0.00 . .
22 Ge 8f 0.500000 0.376796 0.039846 -0.00 . .
23 Ge 8f 0.500000 0.376796 0.460154 -0.00 . .
24 Ge 8f 0.000000 0.123204 0.539846 -0.00 . .
25 Ge 8f 0.500000 0.346453 0.750000 -0.00 . .
26 Ge 8f 0.000000 0.153547 0.250000 -0.00 . .
27 Ge 8f 0.500000 0.623204 0.960154 -0.00 . .
28 Ge 8f 0.000000 0.876796 0.039846 -0.00 . .
29 Ge 4c 0.000000 0.876796 0.460154 -0.00 . .
30 Ge 4c 0.500000 0.623204 0.539846 -0.00 . .
31 Ge 4c 0.000000 0.846453 0.750000 -0.00 . .
32 Ge 4c 0.500000 0.653547 0.250000 -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 8f 2 Sc 8f 4.91 .
1 Sc 8f 3 Sc 8f 7.72 .
1 Sc 8f 4 Sc 8f 3.71 .
1 Sc 8f 5 Sc 8f 3.28 .
1 Sc 8f 6 Sc 8f 5.24 .
1 Sc 8f 7 Sc 8f 5.35 .
1 Sc 8f 8 Sc 8f 3.34 .
1 Sc 8f 9 Sc 4c 6.83 .
1 Sc 8f 10 Sc 4c 6.51 .
1 Sc 8f 11 Sc 4c 3.54 .
1 Sc 8f 12 Sc 4c 6.43 .
1 Sc 8f 13 Co 8f 2.91 .
1 Sc 8f 14 Co 8f 3.05 .
1 Sc 8f 15 Co 8f 6.60 .
1 Sc 8f 16 Co 8f 4.84 .
1 Sc 8f 17 Co 8f 2.87 .
1 Sc 8f 18 Co 8f 5.03 .
1 Sc 8f 19 Co 8f 7.72 .
1 Sc 8f 20 Co 8f 4.82 .
1 Sc 8f 21 Ge 8f 3.09 .
1 Sc 8f 22 Ge 8f 2.87 .
1 Sc 8f 23 Ge 8f 6.07 .
1 Sc 8f 24 Ge 8f 5.50 .
1 Sc 8f 25 Ge 8f 2.84 .
1 Sc 8f 26 Ge 8f 5.47 .
1 Sc 8f 27 Ge 8f 3.00 .
1 Sc 8f 28 Ge 8f 4.95 .
1 Sc 8f 29 Ge 4c 7.28 .
1 Sc 8f 30 Ge 4c 5.45 .
1 Sc 8f 31 Ge 4c 4.61 .
1 Sc 8f 32 Ge 4c 5.69 .
2 Sc 8f 3 Sc 8f 3.71 .
2 Sc 8f 4 Sc 8f 7.72 .
2 Sc 8f 5 Sc 8f 5.24 .
2 Sc 8f 6 Sc 8f 3.28 .
2 Sc 8f 7 Sc 8f 3.34 .
2 Sc 8f 8 Sc 8f 5.35 .
2 Sc 8f 9 Sc 4c 6.51 .
2 Sc 8f 10 Sc 4c 6.83 .
2 Sc 8f 11 Sc 4c 6.43 .
2 Sc 8f 12 Sc 4c 3.54 .
2 Sc 8f 13 Co 8f 3.05 .
2 Sc 8f 14 Co 8f 2.91 .
2 Sc 8f 15 Co 8f 4.84 .
2 Sc 8f 16 Co 8f 6.60 .
2 Sc 8f 17 Co 8f 5.03 .
2 Sc 8f 18 Co 8f 2.87 .
2 Sc 8f 19 Co 8f 4.82 .
2 Sc 8f 20 Co 8f 7.72 .
2 Sc 8f 21 Ge 8f 2.87 .
2 Sc 8f 22 Ge 8f 3.09 .
2 Sc 8f 23 Ge 8f 5.50 .
2 Sc 8f 24 Ge 8f 6.07 .
2 Sc 8f 25 Ge 8f 5.47 .
2 Sc 8f 26 Ge 8f 2.84 .
2 Sc 8f 27 Ge 8f 4.95 .
2 Sc 8f 28 Ge 8f 3.00 .
2 Sc 8f 29 Ge 4c 5.45 .
2 Sc 8f 30 Ge 4c 7.28 .
2 Sc 8f 31 Ge 4c 5.69 .
2 Sc 8f 32 Ge 4c 4.61 .
3 Sc 8f 4 Sc 8f 4.91 .
3 Sc 8f 5 Sc 8f 5.24 .
3 Sc 8f 6 Sc 8f 3.28 .
3 Sc 8f 7 Sc 8f 6.83 .
3 Sc 8f 8 Sc 8f 6.51 .
3 Sc 8f 9 Sc 4c 5.35 .
3 Sc 8f 10 Sc 4c 3.34 .
3 Sc 8f 11 Sc 4c 6.43 .
3 Sc 8f 12 Sc 4c 3.54 .
3 Sc 8f 13 Co 8f 6.60 .
3 Sc 8f 14 Co 8f 4.84 .
3 Sc 8f 15 Co 8f 2.91 .
3 Sc 8f 16 Co 8f 3.05 .
3 Sc 8f 17 Co 8f 7.72 .
3 Sc 8f 18 Co 8f 4.82 .
3 Sc 8f 19 Co 8f 2.87 .
3 Sc 8f 20 Co 8f 5.03 .
3 Sc 8f 21 Ge 8f 6.07 .
3 Sc 8f 22 Ge 8f 5.50 .
3 Sc 8f 23 Ge 8f 3.09 .
3 Sc 8f 24 Ge 8f 2.87 .
3 Sc 8f 25 Ge 8f 5.47 .
3 Sc 8f 26 Ge 8f 2.84 .
3 Sc 8f 27 Ge 8f 7.28 .
3 Sc 8f 28 Ge 8f 5.45 .
3 Sc 8f 29 Ge 4c 3.00 .
3 Sc 8f 30 Ge 4c 4.95 .
3 Sc 8f 31 Ge 4c 5.69 .
3 Sc 8f 32 Ge 4c 4.61 .
4 Sc 8f 5 Sc 8f 3.28 .
4 Sc 8f 6 Sc 8f 5.24 .
4 Sc 8f 7 Sc 8f 6.51 .
4 Sc 8f 8 Sc 8f 6.83 .
4 Sc 8f 9 Sc 4c 3.34 .
4 Sc 8f 10 Sc 4c 5.35 .
4 Sc 8f 11 Sc 4c 3.54 .
4 Sc 8f 12 Sc 4c 6.43 .
4 Sc 8f 13 Co 8f 4.84 .
4 Sc 8f 14 Co 8f 6.60 .
4 Sc 8f 15 Co 8f 3.05 .
4 Sc 8f 16 Co 8f 2.91 .
4 Sc 8f 17 Co 8f 4.82 .
4 Sc 8f 18 Co 8f 7.72 .
4 Sc 8f 19 Co 8f 5.03 .
4 Sc 8f 20 Co 8f 2.87 .
4 Sc 8f 21 Ge 8f 5.50 .
4 Sc 8f 22 Ge 8f 6.07 .
4 Sc 8f 23 Ge 8f 2.87 .
4 Sc 8f 24 Ge 8f 3.09 .
4 Sc 8f 25 Ge 8f 2.84 .
4 Sc 8f 26 Ge 8f 5.47 .
4 Sc 8f 27 Ge 8f 5.45 .
4 Sc 8f 28 Ge 8f 7.28 .
4 Sc 8f 29 Ge 4c 4.95 .
4 Sc 8f 30 Ge 4c 3.00 .
4 Sc 8f 31 Ge 4c 4.61 .
4 Sc 8f 32 Ge 4c 5.69 .
5 Sc 8f 6 Sc 8f 7.24 .
5 Sc 8f 7 Sc 8f 3.54 .
5 Sc 8f 8 Sc 8f 6.43 .
5 Sc 8f 9 Sc 4c 6.43 .
5 Sc 8f 10 Sc 4c 3.54 .
5 Sc 8f 11 Sc 4c 5.35 .
5 Sc 8f 12 Sc 4c 7.25 .
5 Sc 8f 13 Co 8f 2.92 .
5 Sc 8f 14 Co 8f 4.84 .
5 Sc 8f 15 Co 8f 4.84 .
5 Sc 8f 16 Co 8f 2.92 .
5 Sc 8f 17 Co 8f 4.78 .
5 Sc 8f 18 Co 8f 6.15 .
5 Sc 8f 19 Co 8f 6.15 .
5 Sc 8f 20 Co 8f 4.78 .
5 Sc 8f 21 Ge 8f 2.80 .
5 Sc 8f 22 Ge 8f 4.91 .
5 Sc 8f 23 Ge 8f 4.91 .
5 Sc 8f 24 Ge 8f 2.80 .
5 Sc 8f 25 Ge 8f 2.83 .
5 Sc 8f 26 Ge 8f 6.65 .
5 Sc 8f 27 Ge 8f 5.85 .
5 Sc 8f 28 Ge 8f 4.69 .
5 Sc 8f 29 Ge 4c 4.69 .
5 Sc 8f 30 Ge 4c 5.85 .
5 Sc 8f 31 Ge 4c 2.97 .
5 Sc 8f 32 Ge 4c 8.49 .
6 Sc 8f 7 Sc 8f 6.43 .
6 Sc 8f 8 Sc 8f 3.54 .
6 Sc 8f 9 Sc 4c 3.54 .
6 Sc 8f 10 Sc 4c 6.43 .
6 Sc 8f 11 Sc 4c 7.25 .
6 Sc 8f 12 Sc 4c 5.35 .
6 Sc 8f 13 Co 8f 4.84 .
6 Sc 8f 14 Co 8f 2.92 .
6 Sc 8f 15 Co 8f 2.92 .
6 Sc 8f 16 Co 8f 4.84 .
6 Sc 8f 17 Co 8f 6.15 .
6 Sc 8f 18 Co 8f 4.78 .
6 Sc 8f 19 Co 8f 4.78 .
6 Sc 8f 20 Co 8f 6.15 .
6 Sc 8f 21 Ge 8f 4.91 .
6 Sc 8f 22 Ge 8f 2.80 .
6 Sc 8f 23 Ge 8f 2.80 .
6 Sc 8f 24 Ge 8f 4.91 .
6 Sc 8f 25 Ge 8f 6.65 .
6 Sc 8f 26 Ge 8f 2.83 .
6 Sc 8f 27 Ge 8f 4.69 .
6 Sc 8f 28 Ge 8f 5.85 .
6 Sc 8f 29 Ge 4c 5.85 .
6 Sc 8f 30 Ge 4c 4.69 .
6 Sc 8f 31 Ge 4c 8.49 .
6 Sc 8f 32 Ge 4c 2.97 .
7 Sc 8f 8 Sc 8f 4.91 .
7 Sc 8f 9 Sc 4c 7.72 .
7 Sc 8f 10 Sc 4c 3.71 .
7 Sc 8f 11 Sc 4c 3.28 .
7 Sc 8f 12 Sc 4c 5.24 .
7 Sc 8f 13 Co 8f 2.87 .
7 Sc 8f 14 Co 8f 5.03 .
7 Sc 8f 15 Co 8f 7.72 .
7 Sc 8f 16 Co 8f 4.82 .
7 Sc 8f 17 Co 8f 2.91 .
7 Sc 8f 18 Co 8f 3.05 .
7 Sc 8f 19 Co 8f 6.60 .
7 Sc 8f 20 Co 8f 4.84 .
7 Sc 8f 21 Ge 8f 3.00 .
7 Sc 8f 22 Ge 8f 4.95 .
7 Sc 8f 23 Ge 8f 7.28 .
7 Sc 8f 24 Ge 8f 5.45 .
7 Sc 8f 25 Ge 8f 4.61 .
7 Sc 8f 26 Ge 8f 5.69 .
7 Sc 8f 27 Ge 8f 3.09 .
7 Sc 8f 28 Ge 8f 2.87 .
7 Sc 8f 29 Ge 4c 6.07 .
7 Sc 8f 30 Ge 4c 5.50 .
7 Sc 8f 31 Ge 4c 2.84 .
7 Sc 8f 32 Ge 4c 5.47 .
8 Sc 8f 9 Sc 4c 3.71 .
8 Sc 8f 10 Sc 4c 7.72 .
8 Sc 8f 11 Sc 4c 5.24 .
8 Sc 8f 12 Sc 4c 3.28 .
8 Sc 8f 13 Co 8f 5.03 .
8 Sc 8f 14 Co 8f 2.87 .
8 Sc 8f 15 Co 8f 4.82 .
8 Sc 8f 16 Co 8f 7.72 .
8 Sc 8f 17 Co 8f 3.05 .
8 Sc 8f 18 Co 8f 2.91 .
8 Sc 8f 19 Co 8f 4.84 .
8 Sc 8f 20 Co 8f 6.60 .
8 Sc 8f 21 Ge 8f 4.95 .
8 Sc 8f 22 Ge 8f 3.00 .
8 Sc 8f 23 Ge 8f 5.45 .
8 Sc 8f 24 Ge 8f 7.28 .
8 Sc 8f 25 Ge 8f 5.69 .
8 Sc 8f 26 Ge 8f 4.61 .
8 Sc 8f 27 Ge 8f 2.87 .
8 Sc 8f 28 Ge 8f 3.09 .
8 Sc 8f 29 Ge 4c 5.50 .
8 Sc 8f 30 Ge 4c 6.07 .
8 Sc 8f 31 Ge 4c 5.47 .
8 Sc 8f 32 Ge 4c 2.84 .
9 Sc 4c 10 Sc 4c 4.91 .
9 Sc 4c 11 Sc 4c 5.24 .
9 Sc 4c 12 Sc 4c 3.28 .
9 Sc 4c 13 Co 8f 7.72 .
9 Sc 4c 14 Co 8f 4.82 .
9 Sc 4c 15 Co 8f 2.87 .
9 Sc 4c 16 Co 8f 5.03 .
9 Sc 4c 17 Co 8f 6.60 .
9 Sc 4c 18 Co 8f 4.84 .
9 Sc 4c 19 Co 8f 2.91 .
9 Sc 4c 20 Co 8f 3.05 .
9 Sc 4c 21 Ge 8f 7.28 .
9 Sc 4c 22 Ge 8f 5.45 .
9 Sc 4c 23 Ge 8f 3.00 .
9 Sc 4c 24 Ge 8f 4.95 .
9 Sc 4c 25 Ge 8f 5.69 .
9 Sc 4c 26 Ge 8f 4.61 .
9 Sc 4c 27 Ge 8f 6.07 .
9 Sc 4c 28 Ge 8f 5.50 .
9 Sc 4c 29 Ge 4c 3.09 .
9 Sc 4c 30 Ge 4c 2.87 .
9 Sc 4c 31 Ge 4c 5.47 .
9 Sc 4c 32 Ge 4c 2.84 .
10 Sc 4c 11 Sc 4c 3.28 .
10 Sc 4c 12 Sc 4c 5.24 .
10 Sc 4c 13 Co 8f 4.82 .
10 Sc 4c 14 Co 8f 7.72 .
10 Sc 4c 15 Co 8f 5.03 .
10 Sc 4c 16 Co 8f 2.87 .
10 Sc 4c 17 Co 8f 4.84 .
10 Sc 4c 18 Co 8f 6.60 .
10 Sc 4c 19 Co 8f 3.05 .
10 Sc 4c 20 Co 8f 2.91 .
10 Sc 4c 21 Ge 8f 5.45 .
10 Sc 4c 22 Ge 8f 7.28 .
10 Sc 4c 23 Ge 8f 4.95 .
10 Sc 4c 24 Ge 8f 3.00 .
10 Sc 4c 25 Ge 8f 4.61 .
10 Sc 4c 26 Ge 8f 5.69 .
10 Sc 4c 27 Ge 8f 5.50 .
10 Sc 4c 28 Ge 8f 6.07 .
10 Sc 4c 29 Ge 4c 2.87 .
10 Sc 4c 30 Ge 4c 3.09 .
10 Sc 4c 31 Ge 4c 2.84 .
10 Sc 4c 32 Ge 4c 5.47 .
11 Sc 4c 12 Sc 4c 7.24 .
11 Sc 4c 13 Co 8f 4.78 .
11 Sc 4c 14 Co 8f 6.15 .
11 Sc 4c 15 Co 8f 6.15 .
11 Sc 4c 16 Co 8f 4.78 .
11 Sc 4c 17 Co 8f 2.92 .
11 Sc 4c 18 Co 8f 4.84 .
11 Sc 4c 19 Co 8f 4.84 .
11 Sc 4c 20 Co 8f 2.92 .
11 Sc 4c 21 Ge 8f 5.85 .
11 Sc 4c 22 Ge 8f 4.69 .
11 Sc 4c 23 Ge 8f 4.69 .
11 Sc 4c 24 Ge 8f 5.85 .
11 Sc 4c 25 Ge 8f 2.97 .
11 Sc 4c 26 Ge 8f 8.49 .
11 Sc 4c 27 Ge 8f 2.80 .
11 Sc 4c 28 Ge 8f 4.91 .
11 Sc 4c 29 Ge 4c 4.91 .
11 Sc 4c 30 Ge 4c 2.80 .
11 Sc 4c 31 Ge 4c 2.83 .
11 Sc 4c 32 Ge 4c 6.65 .
12 Sc 4c 13 Co 8f 6.15 .
12 Sc 4c 14 Co 8f 4.78 .
12 Sc 4c 15 Co 8f 4.78 .
12 Sc 4c 16 Co 8f 6.15 .
12 Sc 4c 17 Co 8f 4.84 .
12 Sc 4c 18 Co 8f 2.92 .
12 Sc 4c 19 Co 8f 2.92 .
12 Sc 4c 20 Co 8f 4.84 .
12 Sc 4c 21 Ge 8f 4.69 .
12 Sc 4c 22 Ge 8f 5.85 .
12 Sc 4c 23 Ge 8f 5.85 .
12 Sc 4c 24 Ge 8f 4.69 .
12 Sc 4c 25 Ge 8f 8.49 .
12 Sc 4c 26 Ge 8f 2.97 .
12 Sc 4c 27 Ge 8f 4.91 .
12 Sc 4c 28 Ge 8f 2.80 .
12 Sc 4c 29 Ge 4c 2.80 .
12 Sc 4c 30 Ge 4c 4.91 .
12 Sc 4c 31 Ge 4c 6.65 .
12 Sc 4c 32 Ge 4c 2.83 .
13 Co 8f 14 Co 8f 3.39 .
13 Co 8f 15 Co 8f 6.99 .
13 Co 8f 16 Co 8f 4.04 .
13 Co 8f 17 Co 8f 5.35 .
13 Co 8f 18 Co 8f 4.89 .
13 Co 8f 19 Co 8f 7.83 .
13 Co 8f 20 Co 8f 6.70 .
13 Co 8f 21 Ge 8f 2.32 .
13 Co 8f 22 Ge 8f 2.47 .
13 Co 8f 23 Ge 8f 6.10 .
13 Co 8f 24 Ge 8f 5.29 .
13 Co 8f 25 Ge 8f 2.44 .
13 Co 8f 26 Ge 8f 5.08 .
13 Co 8f 27 Ge 8f 4.17 .
13 Co 8f 28 Ge 8f 4.27 .
13 Co 8f 29 Ge 4c 7.03 .
13 Co 8f 30 Ge 4c 6.32 .
13 Co 8f 31 Ge 4c 4.59 .
13 Co 8f 32 Ge 4c 6.39 .
14 Co 8f 15 Co 8f 4.04 .
14 Co 8f 16 Co 8f 6.99 .
14 Co 8f 17 Co 8f 4.89 .
14 Co 8f 18 Co 8f 5.35 .
14 Co 8f 19 Co 8f 6.70 .
14 Co 8f 20 Co 8f 7.83 .
14 Co 8f 21 Ge 8f 2.47 .
14 Co 8f 22 Ge 8f 2.32 .
14 Co 8f 23 Ge 8f 5.29 .
14 Co 8f 24 Ge 8f 6.10 .
14 Co 8f 25 Ge 8f 5.08 .
14 Co 8f 26 Ge 8f 2.44 .
14 Co 8f 27 Ge 8f 4.27 .
14 Co 8f 28 Ge 8f 4.17 .
14 Co 8f 29 Ge 4c 6.32 .
14 Co 8f 30 Ge 4c 7.03 .
14 Co 8f 31 Ge 4c 6.39 .
14 Co 8f 32 Ge 4c 4.59 .
15 Co 8f 16 Co 8f 3.39 .
15 Co 8f 17 Co 8f 7.83 .
15 Co 8f 18 Co 8f 6.70 .
15 Co 8f 19 Co 8f 5.35 .
15 Co 8f 20 Co 8f 4.89 .
15 Co 8f 21 Ge 8f 6.10 .
15 Co 8f 22 Ge 8f 5.29 .
15 Co 8f 23 Ge 8f 2.32 .
15 Co 8f 24 Ge 8f 2.47 .
15 Co 8f 25 Ge 8f 5.08 .
15 Co 8f 26 Ge 8f 2.44 .
15 Co 8f 27 Ge 8f 7.03 .
15 Co 8f 28 Ge 8f 6.32 .
15 Co 8f 29 Ge 4c 4.17 .
15 Co 8f 30 Ge 4c 4.27 .
15 Co 8f 31 Ge 4c 6.39 .
15 Co 8f 32 Ge 4c 4.59 .
16 Co 8f 17 Co 8f 6.70 .
16 Co 8f 18 Co 8f 7.83 .
16 Co 8f 19 Co 8f 4.89 .
16 Co 8f 20 Co 8f 5.35 .
16 Co 8f 21 Ge 8f 5.29 .
16 Co 8f 22 Ge 8f 6.10 .
16 Co 8f 23 Ge 8f 2.47 .
16 Co 8f 24 Ge 8f 2.32 .
16 Co 8f 25 Ge 8f 2.44 .
16 Co 8f 26 Ge 8f 5.08 .
16 Co 8f 27 Ge 8f 6.32 .
16 Co 8f 28 Ge 8f 7.03 .
16 Co 8f 29 Ge 4c 4.27 .
16 Co 8f 30 Ge 4c 4.17 .
16 Co 8f 31 Ge 4c 4.59 .
16 Co 8f 32 Ge 4c 6.39 .
17 Co 8f 18 Co 8f 3.39 .
17 Co 8f 19 Co 8f 6.99 .
17 Co 8f 20 Co 8f 4.04 .
17 Co 8f 21 Ge 8f 4.17 .
17 Co 8f 22 Ge 8f 4.27 .
17 Co 8f 23 Ge 8f 7.03 .
17 Co 8f 24 Ge 8f 6.32 .
17 Co 8f 25 Ge 8f 4.59 .
17 Co 8f 26 Ge 8f 6.39 .
17 Co 8f 27 Ge 8f 2.32 .
17 Co 8f 28 Ge 8f 2.47 .
17 Co 8f 29 Ge 4c 6.10 .
17 Co 8f 30 Ge 4c 5.29 .
17 Co 8f 31 Ge 4c 2.44 .
17 Co 8f 32 Ge 4c 5.08 .
18 Co 8f 19 Co 8f 4.04 .
18 Co 8f 20 Co 8f 6.99 .
18 Co 8f 21 Ge 8f 4.27 .
18 Co 8f 22 Ge 8f 4.17 .
18 Co 8f 23 Ge 8f 6.32 .
18 Co 8f 24 Ge 8f 7.03 .
18 Co 8f 25 Ge 8f 6.39 .
18 Co 8f 26 Ge 8f 4.59 .
18 Co 8f 27 Ge 8f 2.47 .
18 Co 8f 28 Ge 8f 2.32 .
18 Co 8f 29 Ge 4c 5.29 .
18 Co 8f 30 Ge 4c 6.10 .
18 Co 8f 31 Ge 4c 5.08 .
18 Co 8f 32 Ge 4c 2.44 .
19 Co 8f 20 Co 8f 3.39 .
19 Co 8f 21 Ge 8f 7.03 .
19 Co 8f 22 Ge 8f 6.32 .
19 Co 8f 23 Ge 8f 4.17 .
19 Co 8f 24 Ge 8f 4.27 .
19 Co 8f 25 Ge 8f 6.39 .
19 Co 8f 26 Ge 8f 4.59 .
19 Co 8f 27 Ge 8f 6.10 .
19 Co 8f 28 Ge 8f 5.29 .
19 Co 8f 29 Ge 4c 2.32 .
19 Co 8f 30 Ge 4c 2.47 .
19 Co 8f 31 Ge 4c 5.08 .
19 Co 8f 32 Ge 4c 2.44 .
20 Co 8f 21 Ge 8f 6.32 .
20 Co 8f 22 Ge 8f 7.03 .
20 Co 8f 23 Ge 8f 4.27 .
20 Co 8f 24 Ge 8f 4.17 .
20 Co 8f 25 Ge 8f 4.59 .
20 Co 8f 26 Ge 8f 6.39 .
20 Co 8f 27 Ge 8f 5.29 .
20 Co 8f 28 Ge 8f 6.10 .
20 Co 8f 29 Ge 4c 2.47 .
20 Co 8f 30 Ge 4c 2.32 .
20 Co 8f 31 Ge 4c 2.44 .
20 Co 8f 32 Ge 4c 5.08 .
21 Ge 8f 22 Ge 8f 3.39 .
21 Ge 8f 23 Ge 8f 7.39 .
21 Ge 8f 24 Ge 8f 5.59 .
21 Ge 8f 25 Ge 8f 4.10 .
21 Ge 8f 26 Ge 8f 3.86 .
21 Ge 8f 27 Ge 8f 5.35 .
21 Ge 8f 28 Ge 8f 2.66 .
21 Ge 8f 29 Ge 4c 7.08 .
21 Ge 8f 30 Ge 4c 7.73 .
21 Ge 8f 31 Ge 4c 3.91 .
21 Ge 8f 32 Ge 4c 6.37 .
22 Ge 8f 23 Ge 8f 5.59 .
22 Ge 8f 24 Ge 8f 7.39 .
22 Ge 8f 25 Ge 8f 3.86 .
22 Ge 8f 26 Ge 8f 4.10 .
22 Ge 8f 27 Ge 8f 2.66 .
22 Ge 8f 28 Ge 8f 5.35 .
22 Ge 8f 29 Ge 4c 7.73 .
22 Ge 8f 30 Ge 4c 7.08 .
22 Ge 8f 31 Ge 4c 6.37 .
22 Ge 8f 32 Ge 4c 3.91 .
23 Ge 8f 24 Ge 8f 3.39 .
23 Ge 8f 25 Ge 8f 3.86 .
23 Ge 8f 26 Ge 8f 4.10 .
23 Ge 8f 27 Ge 8f 7.08 .
23 Ge 8f 28 Ge 8f 7.73 .
23 Ge 8f 29 Ge 4c 5.35 .
23 Ge 8f 30 Ge 4c 2.66 .
23 Ge 8f 31 Ge 4c 6.37 .
23 Ge 8f 32 Ge 4c 3.91 .
24 Ge 8f 25 Ge 8f 4.10 .
24 Ge 8f 26 Ge 8f 3.86 .
24 Ge 8f 27 Ge 8f 7.73 .
24 Ge 8f 28 Ge 8f 7.08 .
24 Ge 8f 29 Ge 4c 2.66 .
24 Ge 8f 30 Ge 4c 5.35 .
24 Ge 8f 31 Ge 4c 3.91 .
24 Ge 8f 32 Ge 4c 6.37 .
25 Ge 8f 26 Ge 8f 7.20 .
25 Ge 8f 27 Ge 8f 3.91 .
25 Ge 8f 28 Ge 8f 6.37 .
25 Ge 8f 29 Ge 4c 6.37 .
25 Ge 8f 30 Ge 4c 3.91 .
25 Ge 8f 31 Ge 4c 5.35 .
25 Ge 8f 32 Ge 4c 7.31 .
26 Ge 8f 27 Ge 8f 6.37 .
26 Ge 8f 28 Ge 8f 3.91 .
26 Ge 8f 29 Ge 4c 3.91 .
26 Ge 8f 30 Ge 4c 6.37 .
26 Ge 8f 31 Ge 4c 7.31 .
26 Ge 8f 32 Ge 4c 5.35 .
27 Ge 8f 28 Ge 8f 3.39 .
27 Ge 8f 29 Ge 4c 7.39 .
27 Ge 8f 30 Ge 4c 5.59 .
27 Ge 8f 31 Ge 4c 4.10 .
27 Ge 8f 32 Ge 4c 3.86 .
28 Ge 8f 29 Ge 4c 5.59 .
28 Ge 8f 30 Ge 4c 7.39 .
28 Ge 8f 31 Ge 4c 3.86 .
28 Ge 8f 32 Ge 4c 4.10 .
29 Ge 4c 30 Ge 4c 3.39 .
29 Ge 4c 31 Ge 4c 3.86 .
29 Ge 4c 32 Ge 4c 4.10 .
30 Ge 4c 31 Ge 4c 4.10 .
30 Ge 4c 32 Ge 4c 3.86 .
31 Ge 4c 32 Ge 4c 7.20 .
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-31191
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