Material:

Co3Ge6N11

ID:

MMD-1938

Explore database:

Compounds with the same formula: Co3Ge6N11 (1 entry found)
Compounds with the same elements: Co-Ge-N (9 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

100

Hermann-Mauguin

P4bm

Hall

P 4 -2ab

Point group

4mm

Structure data:

Normalized formula

Co3Ge6N11

The number of formula units per unit cell

2

The total number of atoms per unit cell

40

The number of inequivalent sites per unit cell

8

Structure search

MP

Lattice parameters:

a (Å)

9.4018

b (Å)

9.4018

c (Å)

5.0631

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

447.544

Density (g/cm3)

5.690

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

655.3 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: Co3Ge6N11

1 entry found

Compounds with the same elements: Co-Ge-N

9 entries found

Binary compounds in Co-Ge system

27 entries found

Binary compounds in Co-N system

183 entries found

Binary compounds in Ge-N system

No entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

7.33 μB/cell

Averaged magnetic moment

0.18 μB/atom

Magnetic polarization, Js = μ0Ms

0.19 T (= 151.2 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 Co 4c 0.813053 0.313053 0.952921 0.61 . .
2 Co 4c 0.186947 0.686947 0.952921 0.61 . .
3 Co 4c 0.313053 0.186947 0.952921 0.61 . .
4 Co 4c 0.686947 0.813053 0.952921 0.61 . .
5 Co 2a 0.500000 0.500000 0.959347 2.22 . .
6 Co 2a 0.000000 0.000000 0.959347 2.22 . .
7 Ge 8d 0.265514 0.467494 0.521481 0.00 . .
8 Ge 8d 0.734486 0.532506 0.521481 0.00 . .
9 Ge 8d 0.765514 0.032506 0.521481 0.00 . .
10 Ge 8d 0.234486 0.967494 0.521481 0.00 . .
11 Ge 8d 0.532506 0.265514 0.521481 0.00 . .
12 Ge 8d 0.467494 0.734486 0.521481 0.00 . .
13 Ge 8d 0.967494 0.765514 0.521481 0.00 . .
14 Ge 8d 0.032506 0.234486 0.521481 0.00 . .
15 Ge 4c 0.373975 0.873975 0.024016 0.00 . .
16 Ge 4c 0.626025 0.126025 0.024016 0.00 . .
17 Ge 4c 0.873975 0.626025 0.024016 0.00 . .
18 Ge 4c 0.126025 0.373975 0.024016 0.00 . .
19 N 8d 0.378741 0.331802 0.711884 0.05 . .
20 N 8d 0.621259 0.668198 0.711884 0.05 . .
21 N 8d 0.878741 0.168198 0.711884 0.05 . .
22 N 8d 0.121259 0.831802 0.711884 0.05 . .
23 N 8d 0.668198 0.378741 0.711884 0.05 . .
24 N 8d 0.331802 0.621259 0.711884 0.05 . .
25 N 8d 0.831802 0.878741 0.711884 0.05 . .
26 N 8d 0.168198 0.121259 0.711884 0.05 . .
27 N 8d 0.274422 0.505010 0.158227 0.02 . .
28 N 8d 0.725578 0.494990 0.158227 0.02 . .
29 N 8d 0.774422 0.994990 0.158227 0.02 . .
30 N 8d 0.225578 0.005010 0.158227 0.02 . .
31 N 8d 0.494990 0.274422 0.158227 0.02 . .
32 N 8d 0.505010 0.725578 0.158227 0.02 . .
33 N 8d 0.005010 0.774422 0.158227 0.02 . .
34 N 8d 0.994990 0.225578 0.158227 0.02 . .
35 N 4c 0.404330 0.904330 0.659813 -0.10 . .
36 N 4c 0.595670 0.095670 0.659813 -0.10 . .
37 N 4c 0.904330 0.595670 0.659813 -0.10 . .
38 N 4c 0.095670 0.404330 0.659813 -0.10 . .
39 N 2b 0.000000 0.500000 0.169326 -0.12 . .
40 N 2b 0.500000 0.000000 0.169326 -0.12 . .
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 Co 4c 2 Co 4c 4.97 .
1 Co 4c 3 Co 4c 4.85 .
1 Co 4c 4 Co 4c 4.85 .
1 Co 4c 5 Co 2a 3.43 .
1 Co 4c 6 Co 2a 3.43 .
1 Co 4c 7 Ge 8d 5.00 .
1 Co 4c 8 Ge 8d 3.09 .
1 Co 4c 9 Ge 8d 3.45 .
1 Co 4c 10 Ge 8d 5.57 .
1 Co 4c 11 Ge 8d 3.45 .
1 Co 4c 12 Ge 8d 5.57 .
1 Co 4c 13 Ge 8d 5.00 .
1 Co 4c 14 Ge 8d 3.09 .
1 Co 4c 15 Ge 4c 5.85 .
1 Co 4c 16 Ge 4c 2.51 .
1 Co 4c 17 Ge 4c 3.02 .
1 Co 4c 18 Ge 4c 3.02 .
1 Co 4c 19 N 8d 4.27 .
1 Co 4c 20 N 8d 3.99 .
1 Co 4c 21 N 8d 1.93 .
1 Co 4c 22 N 8d 5.51 .
1 Co 4c 23 N 8d 1.93 .
1 Co 4c 24 N 8d 5.51 .
1 Co 4c 25 N 8d 4.27 .
1 Co 4c 26 N 8d 3.99 .
1 Co 4c 27 N 8d 4.81 .
1 Co 4c 28 N 8d 2.16 .
1 Co 4c 29 N 8d 3.19 .
1 Co 4c 30 N 8d 4.95 .
1 Co 4c 31 N 8d 3.19 .
1 Co 4c 32 N 8d 4.95 .
1 Co 4c 33 N 8d 4.81 .
1 Co 4c 34 N 8d 2.16 .
1 Co 4c 35 N 4c 5.63 .
1 Co 4c 36 N 4c 3.25 .
1 Co 4c 37 N 4c 3.16 .
1 Co 4c 38 N 4c 3.16 .
1 Co 4c 39 N 2b 2.72 .
1 Co 4c 40 N 2b 4.30 .
2 Co 4c 3 Co 4c 4.85 .
2 Co 4c 4 Co 4c 4.85 .
2 Co 4c 5 Co 2a 3.43 .
2 Co 4c 6 Co 2a 3.43 .
2 Co 4c 7 Ge 8d 3.09 .
2 Co 4c 8 Ge 8d 5.00 .
2 Co 4c 9 Ge 8d 5.57 .
2 Co 4c 10 Ge 8d 3.45 .
2 Co 4c 11 Ge 8d 5.57 .
2 Co 4c 12 Ge 8d 3.45 .
2 Co 4c 13 Ge 8d 3.09 .
2 Co 4c 14 Ge 8d 5.00 .
2 Co 4c 15 Ge 4c 2.51 .
2 Co 4c 16 Ge 4c 5.85 .
2 Co 4c 17 Ge 4c 3.02 .
2 Co 4c 18 Ge 4c 3.02 .
2 Co 4c 19 N 8d 3.99 .
2 Co 4c 20 N 8d 4.27 .
2 Co 4c 21 N 8d 5.51 .
2 Co 4c 22 N 8d 1.93 .
2 Co 4c 23 N 8d 5.51 .
2 Co 4c 24 N 8d 1.93 .
2 Co 4c 25 N 8d 3.99 .
2 Co 4c 26 N 8d 4.27 .
2 Co 4c 27 N 8d 2.16 .
2 Co 4c 28 N 8d 4.81 .
2 Co 4c 29 N 8d 4.95 .
2 Co 4c 30 N 8d 3.19 .
2 Co 4c 31 N 8d 4.95 .
2 Co 4c 32 N 8d 3.19 .
2 Co 4c 33 N 8d 2.16 .
2 Co 4c 34 N 8d 4.81 .
2 Co 4c 35 N 4c 3.25 .
2 Co 4c 36 N 4c 5.63 .
2 Co 4c 37 N 4c 3.16 .
2 Co 4c 38 N 4c 3.16 .
2 Co 4c 39 N 2b 2.72 .
2 Co 4c 40 N 2b 4.30 .
3 Co 4c 4 Co 4c 4.97 .
3 Co 4c 5 Co 2a 3.43 .
3 Co 4c 6 Co 2a 3.43 .
3 Co 4c 7 Ge 8d 3.45 .
3 Co 4c 8 Ge 8d 5.57 .
3 Co 4c 9 Ge 8d 5.00 .
3 Co 4c 10 Ge 8d 3.09 .
3 Co 4c 11 Ge 8d 3.09 .
3 Co 4c 12 Ge 8d 5.00 .
3 Co 4c 13 Ge 8d 5.57 .
3 Co 4c 14 Ge 8d 3.45 .
3 Co 4c 15 Ge 4c 3.02 .
3 Co 4c 16 Ge 4c 3.02 .
3 Co 4c 17 Ge 4c 5.85 .
3 Co 4c 18 Ge 4c 2.51 .
3 Co 4c 19 N 8d 1.93 .
3 Co 4c 20 N 8d 5.51 .
3 Co 4c 21 N 8d 4.27 .
3 Co 4c 22 N 8d 3.99 .
3 Co 4c 23 N 8d 3.99 .
3 Co 4c 24 N 8d 4.27 .
3 Co 4c 25 N 8d 5.51 .
3 Co 4c 26 N 8d 1.93 .
3 Co 4c 27 N 8d 3.19 .
3 Co 4c 28 N 8d 4.95 .
3 Co 4c 29 N 8d 4.81 .
3 Co 4c 30 N 8d 2.16 .
3 Co 4c 31 N 8d 2.16 .
3 Co 4c 32 N 8d 4.81 .
3 Co 4c 33 N 8d 4.95 .
3 Co 4c 34 N 8d 3.19 .
3 Co 4c 35 N 4c 3.16 .
3 Co 4c 36 N 4c 3.16 .
3 Co 4c 37 N 4c 5.63 .
3 Co 4c 38 N 4c 3.25 .
3 Co 4c 39 N 2b 4.30 .
3 Co 4c 40 N 2b 2.72 .
4 Co 4c 5 Co 2a 3.43 .
4 Co 4c 6 Co 2a 3.43 .
4 Co 4c 7 Ge 8d 5.57 .
4 Co 4c 8 Ge 8d 3.45 .
4 Co 4c 9 Ge 8d 3.09 .
4 Co 4c 10 Ge 8d 5.00 .
4 Co 4c 11 Ge 8d 5.00 .
4 Co 4c 12 Ge 8d 3.09 .
4 Co 4c 13 Ge 8d 3.45 .
4 Co 4c 14 Ge 8d 5.57 .
4 Co 4c 15 Ge 4c 3.02 .
4 Co 4c 16 Ge 4c 3.02 .
4 Co 4c 17 Ge 4c 2.51 .
4 Co 4c 18 Ge 4c 5.85 .
4 Co 4c 19 N 8d 5.51 .
4 Co 4c 20 N 8d 1.93 .
4 Co 4c 21 N 8d 3.99 .
4 Co 4c 22 N 8d 4.27 .
4 Co 4c 23 N 8d 4.27 .
4 Co 4c 24 N 8d 3.99 .
4 Co 4c 25 N 8d 1.93 .
4 Co 4c 26 N 8d 5.51 .
4 Co 4c 27 N 8d 4.95 .
4 Co 4c 28 N 8d 3.19 .
4 Co 4c 29 N 8d 2.16 .
4 Co 4c 30 N 8d 4.81 .
4 Co 4c 31 N 8d 4.81 .
4 Co 4c 32 N 8d 2.16 .
4 Co 4c 33 N 8d 3.19 .
4 Co 4c 34 N 8d 4.95 .
4 Co 4c 35 N 4c 3.16 .
4 Co 4c 36 N 4c 3.16 .
4 Co 4c 37 N 4c 3.25 .
4 Co 4c 38 N 4c 5.63 .
4 Co 4c 39 N 2b 4.30 .
4 Co 4c 40 N 2b 2.72 .
5 Co 2a 6 Co 2a 6.65 .
5 Co 2a 7 Ge 8d 3.14 .
5 Co 2a 8 Ge 8d 3.14 .
5 Co 2a 9 Ge 8d 5.52 .
5 Co 2a 10 Ge 8d 5.52 .
5 Co 2a 11 Ge 8d 3.14 .
5 Co 2a 12 Ge 8d 3.14 .
5 Co 2a 13 Ge 8d 5.52 .
5 Co 2a 14 Ge 8d 5.52 .
5 Co 2a 15 Ge 4c 3.72 .
5 Co 2a 16 Ge 4c 3.72 .
5 Co 2a 17 Ge 4c 3.72 .
5 Co 2a 18 Ge 4c 3.72 .
5 Co 2a 19 N 8d 2.32 .
5 Co 2a 20 N 8d 2.32 .
5 Co 2a 21 N 8d 4.90 .
5 Co 2a 22 N 8d 4.90 .
5 Co 2a 23 N 8d 2.32 .
5 Co 2a 24 N 8d 2.32 .
5 Co 2a 25 N 8d 4.90 .
5 Co 2a 26 N 8d 4.90 .
5 Co 2a 27 N 8d 2.35 .
5 Co 2a 28 N 8d 2.35 .
5 Co 2a 29 N 8d 5.42 .
5 Co 2a 30 N 8d 5.42 .
5 Co 2a 31 N 8d 2.35 .
5 Co 2a 32 N 8d 2.35 .
5 Co 2a 33 N 8d 5.42 .
5 Co 2a 34 N 8d 5.42 .
5 Co 2a 35 N 4c 4.19 .
5 Co 2a 36 N 4c 4.19 .
5 Co 2a 37 N 4c 4.19 .
5 Co 2a 38 N 4c 4.19 .
5 Co 2a 39 N 2b 4.82 .
5 Co 2a 40 N 2b 4.82 .
6 Co 2a 7 Ge 8d 5.52 .
6 Co 2a 8 Ge 8d 5.52 .
6 Co 2a 9 Ge 8d 3.14 .
6 Co 2a 10 Ge 8d 3.14 .
6 Co 2a 11 Ge 8d 5.52 .
6 Co 2a 12 Ge 8d 5.52 .
6 Co 2a 13 Ge 8d 3.14 .
6 Co 2a 14 Ge 8d 3.14 .
6 Co 2a 15 Ge 4c 3.72 .
6 Co 2a 16 Ge 4c 3.72 .
6 Co 2a 17 Ge 4c 3.72 .
6 Co 2a 18 Ge 4c 3.72 .
6 Co 2a 19 N 8d 4.90 .
6 Co 2a 20 N 8d 4.90 .
6 Co 2a 21 N 8d 2.32 .
6 Co 2a 22 N 8d 2.32 .
6 Co 2a 23 N 8d 4.90 .
6 Co 2a 24 N 8d 4.90 .
6 Co 2a 25 N 8d 2.32 .
6 Co 2a 26 N 8d 2.32 .
6 Co 2a 27 N 8d 5.42 .
6 Co 2a 28 N 8d 5.42 .
6 Co 2a 29 N 8d 2.35 .
6 Co 2a 30 N 8d 2.35 .
6 Co 2a 31 N 8d 5.42 .
6 Co 2a 32 N 8d 5.42 .
6 Co 2a 33 N 8d 2.35 .
6 Co 2a 34 N 8d 2.35 .
6 Co 2a 35 N 4c 4.19 .
6 Co 2a 36 N 4c 4.19 .
6 Co 2a 37 N 4c 4.19 .
6 Co 2a 38 N 4c 4.19 .
6 Co 2a 39 N 2b 4.82 .
6 Co 2a 40 N 2b 4.82 .
7 Ge 8d 8 Ge 8d 4.45 .
7 Ge 8d 9 Ge 8d 6.23 .
7 Ge 8d 10 Ge 8d 4.71 .
7 Ge 8d 11 Ge 8d 3.15 .
7 Ge 8d 12 Ge 8d 3.15 .
7 Ge 8d 13 Ge 8d 3.96 .
7 Ge 8d 14 Ge 8d 3.10 .
7 Ge 8d 15 Ge 4c 4.69 .
7 Ge 8d 16 Ge 4c 5.30 .
7 Ge 8d 17 Ge 4c 4.70 .
7 Ge 8d 18 Ge 4c 2.97 .
7 Ge 8d 19 N 8d 1.92 .
7 Ge 8d 20 N 8d 3.96 .
7 Ge 8d 21 N 8d 4.70 .
7 Ge 8d 22 N 8d 3.81 .
7 Ge 8d 23 N 8d 3.99 .
7 Ge 8d 24 N 8d 1.85 .
7 Ge 8d 25 N 8d 5.70 .
7 Ge 8d 26 N 8d 3.52 .
7 Ge 8d 27 N 8d 1.87 .
7 Ge 8d 28 N 8d 4.71 .
7 Ge 8d 29 N 8d 6.67 .
7 Ge 8d 30 N 8d 4.74 .
7 Ge 8d 31 N 8d 3.37 .
7 Ge 8d 32 N 8d 3.79 .
7 Ge 8d 33 N 8d 4.21 .
7 Ge 8d 34 N 8d 3.88 .
7 Ge 8d 35 N 4c 4.37 .
7 Ge 8d 36 N 4c 4.73 .
7 Ge 8d 37 N 4c 3.67 .
7 Ge 8d 38 N 4c 1.84 .
7 Ge 8d 39 N 2b 3.08 .
7 Ge 8d 40 N 2b 5.23 .
8 Ge 8d 9 Ge 8d 4.71 .
8 Ge 8d 10 Ge 8d 6.23 .
8 Ge 8d 11 Ge 8d 3.15 .
8 Ge 8d 12 Ge 8d 3.15 .
8 Ge 8d 13 Ge 8d 3.10 .
8 Ge 8d 14 Ge 8d 3.96 .
8 Ge 8d 15 Ge 4c 5.30 .
8 Ge 8d 16 Ge 4c 4.69 .
8 Ge 8d 17 Ge 4c 2.97 .
8 Ge 8d 18 Ge 4c 4.70 .
8 Ge 8d 19 N 8d 3.96 .
8 Ge 8d 20 N 8d 1.92 .
8 Ge 8d 21 N 8d 3.81 .
8 Ge 8d 22 N 8d 4.70 .
8 Ge 8d 23 N 8d 1.85 .
8 Ge 8d 24 N 8d 3.99 .
8 Ge 8d 25 N 8d 3.52 .
8 Ge 8d 26 N 8d 5.70 .
8 Ge 8d 27 N 8d 4.71 .
8 Ge 8d 28 N 8d 1.87 .
8 Ge 8d 29 N 8d 4.74 .
8 Ge 8d 30 N 8d 6.67 .
8 Ge 8d 31 N 8d 3.79 .
8 Ge 8d 32 N 8d 3.37 .
8 Ge 8d 33 N 8d 3.88 .
8 Ge 8d 34 N 8d 4.21 .
8 Ge 8d 35 N 4c 4.73 .
8 Ge 8d 36 N 4c 4.37 .
8 Ge 8d 37 N 4c 1.84 .
8 Ge 8d 38 N 4c 3.67 .
8 Ge 8d 39 N 2b 3.08 .
8 Ge 8d 40 N 2b 5.23 .
9 Ge 8d 10 Ge 8d 4.45 .
9 Ge 8d 11 Ge 8d 3.10 .
9 Ge 8d 12 Ge 8d 3.96 .
9 Ge 8d 13 Ge 8d 3.15 .
9 Ge 8d 14 Ge 8d 3.15 .
9 Ge 8d 15 Ge 4c 4.70 .
9 Ge 8d 16 Ge 4c 2.97 .
9 Ge 8d 17 Ge 4c 4.69 .
9 Ge 8d 18 Ge 4c 5.30 .
9 Ge 8d 19 N 8d 4.70 .
9 Ge 8d 20 N 8d 3.81 .
9 Ge 8d 21 N 8d 1.92 .
9 Ge 8d 22 N 8d 3.96 .
9 Ge 8d 23 N 8d 3.52 .
9 Ge 8d 24 N 8d 5.70 .
9 Ge 8d 25 N 8d 1.85 .
9 Ge 8d 26 N 8d 3.99 .
9 Ge 8d 27 N 8d 6.67 .
9 Ge 8d 28 N 8d 4.74 .
9 Ge 8d 29 N 8d 1.87 .
9 Ge 8d 30 N 8d 4.71 .
9 Ge 8d 31 N 8d 3.88 .
9 Ge 8d 32 N 8d 4.21 .
9 Ge 8d 33 N 8d 3.79 .
9 Ge 8d 34 N 8d 3.37 .
9 Ge 8d 35 N 4c 3.67 .
9 Ge 8d 36 N 4c 1.84 .
9 Ge 8d 37 N 4c 4.37 .
9 Ge 8d 38 N 4c 4.73 .
9 Ge 8d 39 N 2b 5.23 .
9 Ge 8d 40 N 2b 3.08 .
10 Ge 8d 11 Ge 8d 3.96 .
10 Ge 8d 12 Ge 8d 3.10 .
10 Ge 8d 13 Ge 8d 3.15 .
10 Ge 8d 14 Ge 8d 3.15 .
10 Ge 8d 15 Ge 4c 2.97 .
10 Ge 8d 16 Ge 4c 4.70 .
10 Ge 8d 17 Ge 4c 5.30 .
10 Ge 8d 18 Ge 4c 4.69 .
10 Ge 8d 19 N 8d 3.81 .
10 Ge 8d 20 N 8d 4.70 .
10 Ge 8d 21 N 8d 3.96 .
10 Ge 8d 22 N 8d 1.92 .
10 Ge 8d 23 N 8d 5.70 .
10 Ge 8d 24 N 8d 3.52 .
10 Ge 8d 25 N 8d 3.99 .
10 Ge 8d 26 N 8d 1.85 .
10 Ge 8d 27 N 8d 4.74 .
10 Ge 8d 28 N 8d 6.67 .
10 Ge 8d 29 N 8d 4.71 .
10 Ge 8d 30 N 8d 1.87 .
10 Ge 8d 31 N 8d 4.21 .
10 Ge 8d 32 N 8d 3.88 .
10 Ge 8d 33 N 8d 3.37 .
10 Ge 8d 34 N 8d 3.79 .
10 Ge 8d 35 N 4c 1.84 .
10 Ge 8d 36 N 4c 3.67 .
10 Ge 8d 37 N 4c 4.73 .
10 Ge 8d 38 N 4c 4.37 .
10 Ge 8d 39 N 2b 5.23 .
10 Ge 8d 40 N 2b 3.08 .
11 Ge 8d 12 Ge 8d 4.45 .
11 Ge 8d 13 Ge 8d 6.23 .
11 Ge 8d 14 Ge 8d 4.71 .
11 Ge 8d 15 Ge 4c 4.70 .
11 Ge 8d 16 Ge 4c 2.97 .
11 Ge 8d 17 Ge 4c 5.30 .
11 Ge 8d 18 Ge 4c 4.69 .
11 Ge 8d 19 N 8d 1.85 .
11 Ge 8d 20 N 8d 3.99 .
11 Ge 8d 21 N 8d 3.52 .
11 Ge 8d 22 N 8d 5.70 .
11 Ge 8d 23 N 8d 1.92 .
11 Ge 8d 24 N 8d 3.96 .
11 Ge 8d 25 N 8d 4.70 .
11 Ge 8d 26 N 8d 3.81 .
11 Ge 8d 27 N 8d 3.79 .
11 Ge 8d 28 N 8d 3.37 .
11 Ge 8d 29 N 8d 3.88 .
11 Ge 8d 30 N 8d 4.21 .
11 Ge 8d 31 N 8d 1.87 .
11 Ge 8d 32 N 8d 4.71 .
11 Ge 8d 33 N 8d 6.67 .
11 Ge 8d 34 N 8d 4.74 .
11 Ge 8d 35 N 4c 3.67 .
11 Ge 8d 36 N 4c 1.84 .
11 Ge 8d 37 N 4c 4.73 .
11 Ge 8d 38 N 4c 4.37 .
11 Ge 8d 39 N 2b 5.23 .
11 Ge 8d 40 N 2b 3.08 .
12 Ge 8d 13 Ge 8d 4.71 .
12 Ge 8d 14 Ge 8d 6.23 .
12 Ge 8d 15 Ge 4c 2.97 .
12 Ge 8d 16 Ge 4c 4.70 .
12 Ge 8d 17 Ge 4c 4.69 .
12 Ge 8d 18 Ge 4c 5.30 .
12 Ge 8d 19 N 8d 3.99 .
12 Ge 8d 20 N 8d 1.85 .
12 Ge 8d 21 N 8d 5.70 .
12 Ge 8d 22 N 8d 3.52 .
12 Ge 8d 23 N 8d 3.96 .
12 Ge 8d 24 N 8d 1.92 .
12 Ge 8d 25 N 8d 3.81 .
12 Ge 8d 26 N 8d 4.70 .
12 Ge 8d 27 N 8d 3.37 .
12 Ge 8d 28 N 8d 3.79 .
12 Ge 8d 29 N 8d 4.21 .
12 Ge 8d 30 N 8d 3.88 .
12 Ge 8d 31 N 8d 4.71 .
12 Ge 8d 32 N 8d 1.87 .
12 Ge 8d 33 N 8d 4.74 .
12 Ge 8d 34 N 8d 6.67 .
12 Ge 8d 35 N 4c 1.84 .
12 Ge 8d 36 N 4c 3.67 .
12 Ge 8d 37 N 4c 4.37 .
12 Ge 8d 38 N 4c 4.73 .
12 Ge 8d 39 N 2b 5.23 .
12 Ge 8d 40 N 2b 3.08 .
13 Ge 8d 14 Ge 8d 4.45 .
13 Ge 8d 15 Ge 4c 4.69 .
13 Ge 8d 16 Ge 4c 5.30 .
13 Ge 8d 17 Ge 4c 2.97 .
13 Ge 8d 18 Ge 4c 4.70 .
13 Ge 8d 19 N 8d 5.70 .
13 Ge 8d 20 N 8d 3.52 .
13 Ge 8d 21 N 8d 3.99 .
13 Ge 8d 22 N 8d 1.85 .
13 Ge 8d 23 N 8d 4.70 .
13 Ge 8d 24 N 8d 3.81 .
13 Ge 8d 25 N 8d 1.92 .
13 Ge 8d 26 N 8d 3.96 .
13 Ge 8d 27 N 8d 4.21 .
13 Ge 8d 28 N 8d 3.88 .
13 Ge 8d 29 N 8d 3.37 .
13 Ge 8d 30 N 8d 3.79 .
13 Ge 8d 31 N 8d 6.67 .
13 Ge 8d 32 N 8d 4.74 .
13 Ge 8d 33 N 8d 1.87 .
13 Ge 8d 34 N 8d 4.71 .
13 Ge 8d 35 N 4c 4.37 .
13 Ge 8d 36 N 4c 4.73 .
13 Ge 8d 37 N 4c 1.84 .
13 Ge 8d 38 N 4c 3.67 .
13 Ge 8d 39 N 2b 3.08 .
13 Ge 8d 40 N 2b 5.23 .
14 Ge 8d 15 Ge 4c 5.30 .
14 Ge 8d 16 Ge 4c 4.69 .
14 Ge 8d 17 Ge 4c 4.70 .
14 Ge 8d 18 Ge 4c 2.97 .
14 Ge 8d 19 N 8d 3.52 .
14 Ge 8d 20 N 8d 5.70 .
14 Ge 8d 21 N 8d 1.85 .
14 Ge 8d 22 N 8d 3.99 .
14 Ge 8d 23 N 8d 3.81 .
14 Ge 8d 24 N 8d 4.70 .
14 Ge 8d 25 N 8d 3.96 .
14 Ge 8d 26 N 8d 1.92 .
14 Ge 8d 27 N 8d 3.88 .
14 Ge 8d 28 N 8d 4.21 .
14 Ge 8d 29 N 8d 3.79 .
14 Ge 8d 30 N 8d 3.37 .
14 Ge 8d 31 N 8d 4.74 .
14 Ge 8d 32 N 8d 6.67 .
14 Ge 8d 33 N 8d 4.71 .
14 Ge 8d 34 N 8d 1.87 .
14 Ge 8d 35 N 4c 4.73 .
14 Ge 8d 36 N 4c 4.37 .
14 Ge 8d 37 N 4c 3.67 .
14 Ge 8d 38 N 4c 1.84 .
14 Ge 8d 39 N 2b 3.08 .
14 Ge 8d 40 N 2b 5.23 .
15 Ge 4c 16 Ge 4c 3.35 .
15 Ge 4c 17 Ge 4c 5.25 .
15 Ge 4c 18 Ge 4c 5.25 .
15 Ge 4c 19 N 8d 4.59 .
15 Ge 4c 20 N 8d 3.41 .
15 Ge 4c 21 N 8d 5.64 .
15 Ge 4c 22 N 8d 2.88 .
15 Ge 4c 23 N 8d 5.64 .
15 Ge 4c 24 N 8d 2.88 .
15 Ge 4c 25 N 8d 4.59 .
15 Ge 4c 26 N 8d 3.41 .
15 Ge 4c 27 N 8d 3.66 .
15 Ge 4c 28 N 8d 4.91 .
15 Ge 4c 29 N 8d 3.99 .
15 Ge 4c 30 N 8d 1.98 .
15 Ge 4c 31 N 8d 3.99 .
15 Ge 4c 32 N 8d 1.98 .
15 Ge 4c 33 N 8d 3.66 .
15 Ge 4c 34 N 8d 4.91 .
15 Ge 4c 35 N 4c 1.89 .
15 Ge 4c 36 N 4c 3.48 .
15 Ge 4c 37 N 4c 5.45 .
15 Ge 4c 38 N 4c 5.45 .
15 Ge 4c 39 N 2b 5.03 .
15 Ge 4c 40 N 2b 1.83 .
16 Ge 4c 17 Ge 4c 5.25 .
16 Ge 4c 18 Ge 4c 5.25 .
16 Ge 4c 19 N 8d 3.41 .
16 Ge 4c 20 N 8d 4.59 .
16 Ge 4c 21 N 8d 2.88 .
16 Ge 4c 22 N 8d 5.64 .
16 Ge 4c 23 N 8d 2.88 .
16 Ge 4c 24 N 8d 5.64 .
16 Ge 4c 25 N 8d 3.41 .
16 Ge 4c 26 N 8d 4.59 .
16 Ge 4c 27 N 8d 4.91 .
16 Ge 4c 28 N 8d 3.66 .
16 Ge 4c 29 N 8d 1.98 .
16 Ge 4c 30 N 8d 3.99 .
16 Ge 4c 31 N 8d 1.98 .
16 Ge 4c 32 N 8d 3.99 .
16 Ge 4c 33 N 8d 4.91 .
16 Ge 4c 34 N 8d 3.66 .
16 Ge 4c 35 N 4c 3.48 .
16 Ge 4c 36 N 4c 1.89 .
16 Ge 4c 37 N 4c 5.45 .
16 Ge 4c 38 N 4c 5.45 .
16 Ge 4c 39 N 2b 5.03 .
16 Ge 4c 40 N 2b 1.83 .
17 Ge 4c 18 Ge 4c 3.35 .
17 Ge 4c 19 N 8d 5.64 .
17 Ge 4c 20 N 8d 2.88 .
17 Ge 4c 21 N 8d 4.59 .
17 Ge 4c 22 N 8d 3.41 .
17 Ge 4c 23 N 8d 3.41 .
17 Ge 4c 24 N 8d 4.59 .
17 Ge 4c 25 N 8d 2.88 .
17 Ge 4c 26 N 8d 5.64 .
17 Ge 4c 27 N 8d 3.99 .
17 Ge 4c 28 N 8d 1.98 .
17 Ge 4c 29 N 8d 3.66 .
17 Ge 4c 30 N 8d 4.91 .
17 Ge 4c 31 N 8d 4.91 .
17 Ge 4c 32 N 8d 3.66 .
17 Ge 4c 33 N 8d 1.98 .
17 Ge 4c 34 N 8d 3.99 .
17 Ge 4c 35 N 4c 5.45 .
17 Ge 4c 36 N 4c 5.45 .
17 Ge 4c 37 N 4c 1.89 .
17 Ge 4c 38 N 4c 3.48 .
17 Ge 4c 39 N 2b 1.83 .
17 Ge 4c 40 N 2b 5.03 .
18 Ge 4c 19 N 8d 2.88 .
18 Ge 4c 20 N 8d 5.64 .
18 Ge 4c 21 N 8d 3.41 .
18 Ge 4c 22 N 8d 4.59 .
18 Ge 4c 23 N 8d 4.59 .
18 Ge 4c 24 N 8d 3.41 .
18 Ge 4c 25 N 8d 5.64 .
18 Ge 4c 26 N 8d 2.88 .
18 Ge 4c 27 N 8d 1.98 .
18 Ge 4c 28 N 8d 3.99 .
18 Ge 4c 29 N 8d 4.91 .
18 Ge 4c 30 N 8d 3.66 .
18 Ge 4c 31 N 8d 3.66 .
18 Ge 4c 32 N 8d 4.91 .
18 Ge 4c 33 N 8d 3.99 .
18 Ge 4c 34 N 8d 1.98 .
18 Ge 4c 35 N 4c 5.45 .
18 Ge 4c 36 N 4c 5.45 .
18 Ge 4c 37 N 4c 3.48 .
18 Ge 4c 38 N 4c 1.89 .
18 Ge 4c 39 N 2b 1.83 .
18 Ge 4c 40 N 2b 5.03 .
19 N 8d 20 N 8d 3.90 .
19 N 8d 21 N 8d 4.95 .
19 N 8d 22 N 8d 5.29 .
19 N 8d 23 N 8d 2.76 .
19 N 8d 24 N 8d 2.76 .
19 N 8d 25 N 8d 6.02 .
19 N 8d 26 N 8d 2.80 .
19 N 8d 27 N 8d 2.95 .
19 N 8d 28 N 8d 4.25 .
19 N 8d 29 N 8d 5.38 .
19 N 8d 30 N 8d 4.08 .
19 N 8d 31 N 8d 2.57 .
19 N 8d 32 N 8d 4.50 .
19 N 8d 33 N 8d 5.90 .
19 N 8d 34 N 8d 4.37 .
19 N 8d 35 N 4c 4.03 .
19 N 8d 36 N 4c 3.03 .
19 N 8d 37 N 4c 5.11 .
19 N 8d 38 N 4c 2.76 .
19 N 8d 39 N 2b 4.53 .
19 N 8d 40 N 2b 4.05 .
20 N 8d 21 N 8d 5.29 .
20 N 8d 22 N 8d 4.95 .
20 N 8d 23 N 8d 2.76 .
20 N 8d 24 N 8d 2.76 .
20 N 8d 25 N 8d 2.80 .
20 N 8d 26 N 8d 6.02 .
20 N 8d 27 N 8d 4.25 .
20 N 8d 28 N 8d 2.95 .
20 N 8d 29 N 8d 4.08 .
20 N 8d 30 N 8d 5.38 .
20 N 8d 31 N 8d 4.50 .
20 N 8d 32 N 8d 2.57 .
20 N 8d 33 N 8d 4.37 .
20 N 8d 34 N 8d 5.90 .
20 N 8d 35 N 4c 3.03 .
20 N 8d 36 N 4c 4.03 .
20 N 8d 37 N 4c 2.76 .
20 N 8d 38 N 4c 5.11 .
20 N 8d 39 N 2b 4.53 .
20 N 8d 40 N 2b 4.05 .
21 N 8d 22 N 8d 3.90 .
21 N 8d 23 N 8d 2.80 .
21 N 8d 24 N 8d 6.02 .
21 N 8d 25 N 8d 2.76 .
21 N 8d 26 N 8d 2.76 .
21 N 8d 27 N 8d 5.38 .
21 N 8d 28 N 8d 4.08 .
21 N 8d 29 N 8d 2.95 .
21 N 8d 30 N 8d 4.25 .
21 N 8d 31 N 8d 4.37 .
21 N 8d 32 N 8d 5.90 .
21 N 8d 33 N 8d 4.50 .
21 N 8d 34 N 8d 2.57 .
21 N 8d 35 N 4c 5.11 .
21 N 8d 36 N 4c 2.76 .
21 N 8d 37 N 4c 4.03 .
21 N 8d 38 N 4c 3.03 .
21 N 8d 39 N 2b 4.05 .
21 N 8d 40 N 2b 4.53 .
22 N 8d 23 N 8d 6.02 .
22 N 8d 24 N 8d 2.80 .
22 N 8d 25 N 8d 2.76 .
22 N 8d 26 N 8d 2.76 .
22 N 8d 27 N 8d 4.08 .
22 N 8d 28 N 8d 5.38 .
22 N 8d 29 N 8d 4.25 .
22 N 8d 30 N 8d 2.95 .
22 N 8d 31 N 8d 5.90 .
22 N 8d 32 N 8d 4.37 .
22 N 8d 33 N 8d 2.57 .
22 N 8d 34 N 8d 4.50 .
22 N 8d 35 N 4c 2.76 .
22 N 8d 36 N 4c 5.11 .
22 N 8d 37 N 4c 3.03 .
22 N 8d 38 N 4c 4.03 .
22 N 8d 39 N 2b 4.05 .
22 N 8d 40 N 2b 4.53 .
23 N 8d 24 N 8d 3.90 .
23 N 8d 25 N 8d 4.95 .
23 N 8d 26 N 8d 5.29 .
23 N 8d 27 N 8d 4.50 .
23 N 8d 28 N 8d 2.57 .
23 N 8d 29 N 8d 4.37 .
23 N 8d 30 N 8d 5.90 .
23 N 8d 31 N 8d 2.95 .
23 N 8d 32 N 8d 4.25 .
23 N 8d 33 N 8d 5.38 .
23 N 8d 34 N 8d 4.08 .
23 N 8d 35 N 4c 5.11 .
23 N 8d 36 N 4c 2.76 .
23 N 8d 37 N 4c 3.03 .
23 N 8d 38 N 4c 4.03 .
23 N 8d 39 N 2b 4.05 .
23 N 8d 40 N 2b 4.53 .
24 N 8d 25 N 8d 5.29 .
24 N 8d 26 N 8d 4.95 .
24 N 8d 27 N 8d 2.57 .
24 N 8d 28 N 8d 4.50 .
24 N 8d 29 N 8d 5.90 .
24 N 8d 30 N 8d 4.37 .
24 N 8d 31 N 8d 4.25 .
24 N 8d 32 N 8d 2.95 .
24 N 8d 33 N 8d 4.08 .
24 N 8d 34 N 8d 5.38 .
24 N 8d 35 N 4c 2.76 .
24 N 8d 36 N 4c 5.11 .
24 N 8d 37 N 4c 4.03 .
24 N 8d 38 N 4c 3.03 .
24 N 8d 39 N 2b 4.05 .
24 N 8d 40 N 2b 4.53 .
25 N 8d 26 N 8d 3.90 .
25 N 8d 27 N 8d 5.90 .
25 N 8d 28 N 8d 4.37 .
25 N 8d 29 N 8d 2.57 .
25 N 8d 30 N 8d 4.50 .
25 N 8d 31 N 8d 5.38 .
25 N 8d 32 N 8d 4.08 .
25 N 8d 33 N 8d 2.95 .
25 N 8d 34 N 8d 4.25 .
25 N 8d 35 N 4c 4.03 .
25 N 8d 36 N 4c 3.03 .
25 N 8d 37 N 4c 2.76 .
25 N 8d 38 N 4c 5.11 .
25 N 8d 39 N 2b 4.53 .
25 N 8d 40 N 2b 4.05 .
26 N 8d 27 N 8d 4.37 .
26 N 8d 28 N 8d 5.90 .
26 N 8d 29 N 8d 4.50 .
26 N 8d 30 N 8d 2.57 .
26 N 8d 31 N 8d 4.08 .
26 N 8d 32 N 8d 5.38 .
26 N 8d 33 N 8d 4.25 .
26 N 8d 34 N 8d 2.95 .
26 N 8d 35 N 4c 3.03 .
26 N 8d 36 N 4c 4.03 .
26 N 8d 37 N 4c 5.11 .
26 N 8d 38 N 4c 2.76 .
26 N 8d 39 N 2b 4.53 .
26 N 8d 40 N 2b 4.05 .
27 N 8d 28 N 8d 4.24 .
27 N 8d 29 N 8d 6.58 .
27 N 8d 30 N 8d 4.72 .
27 N 8d 31 N 8d 3.00 .
27 N 8d 32 N 8d 3.00 .
27 N 8d 33 N 8d 3.58 .
27 N 8d 34 N 8d 3.72 .
27 N 8d 35 N 4c 4.69 .
27 N 8d 36 N 4c 5.50 .
27 N 8d 37 N 4c 4.38 .
27 N 8d 38 N 4c 3.18 .
27 N 8d 39 N 2b 2.58 .
27 N 8d 40 N 2b 5.11 .
28 N 8d 29 N 8d 4.72 .
28 N 8d 30 N 8d 6.58 .
28 N 8d 31 N 8d 3.00 .
28 N 8d 32 N 8d 3.00 .
28 N 8d 33 N 8d 3.72 .
28 N 8d 34 N 8d 3.58 .
28 N 8d 35 N 4c 5.50 .
28 N 8d 36 N 4c 4.69 .
28 N 8d 37 N 4c 3.18 .
28 N 8d 38 N 4c 4.38 .
28 N 8d 39 N 2b 2.58 .
28 N 8d 40 N 2b 5.11 .
29 N 8d 30 N 8d 4.24 .
29 N 8d 31 N 8d 3.72 .
29 N 8d 32 N 8d 3.58 .
29 N 8d 33 N 8d 3.00 .
29 N 8d 34 N 8d 3.00 .
29 N 8d 35 N 4c 4.38 .
29 N 8d 36 N 4c 3.18 .
29 N 8d 37 N 4c 4.69 .
29 N 8d 38 N 4c 5.50 .
29 N 8d 39 N 2b 5.11 .
29 N 8d 40 N 2b 2.58 .
30 N 8d 31 N 8d 3.58 .
30 N 8d 32 N 8d 3.72 .
30 N 8d 33 N 8d 3.00 .
30 N 8d 34 N 8d 3.00 .
30 N 8d 35 N 4c 3.18 .
30 N 8d 36 N 4c 4.38 .
30 N 8d 37 N 4c 5.50 .
30 N 8d 38 N 4c 4.69 .
30 N 8d 39 N 2b 5.11 .
30 N 8d 40 N 2b 2.58 .
31 N 8d 32 N 8d 4.24 .
31 N 8d 33 N 8d 6.58 .
31 N 8d 34 N 8d 4.72 .
31 N 8d 35 N 4c 4.38 .
31 N 8d 36 N 4c 3.18 .
31 N 8d 37 N 4c 5.50 .
31 N 8d 38 N 4c 4.69 .
31 N 8d 39 N 2b 5.11 .
31 N 8d 40 N 2b 2.58 .
32 N 8d 33 N 8d 4.72 .
32 N 8d 34 N 8d 6.58 .
32 N 8d 35 N 4c 3.18 .
32 N 8d 36 N 4c 4.38 .
32 N 8d 37 N 4c 4.69 .
32 N 8d 38 N 4c 5.50 .
32 N 8d 39 N 2b 5.11 .
32 N 8d 40 N 2b 2.58 .
33 N 8d 34 N 8d 4.24 .
33 N 8d 35 N 4c 4.69 .
33 N 8d 36 N 4c 5.50 .
33 N 8d 37 N 4c 3.18 .
33 N 8d 38 N 4c 4.38 .
33 N 8d 39 N 2b 2.58 .
33 N 8d 40 N 2b 5.11 .
34 N 8d 35 N 4c 5.50 .
34 N 8d 36 N 4c 4.69 .
34 N 8d 37 N 4c 4.38 .
34 N 8d 38 N 4c 3.18 .
34 N 8d 39 N 2b 2.58 .
34 N 8d 40 N 2b 5.11 .
35 N 4c 36 N 4c 2.54 .
35 N 4c 37 N 4c 5.52 .
35 N 4c 38 N 4c 5.52 .
35 N 4c 39 N 2b 5.92 .
35 N 4c 40 N 2b 2.79 .
36 N 4c 37 N 4c 5.52 .
36 N 4c 38 N 4c 5.52 .
36 N 4c 39 N 2b 5.92 .
36 N 4c 40 N 2b 2.79 .
37 N 4c 38 N 4c 2.54 .
37 N 4c 39 N 2b 2.79 .
37 N 4c 40 N 2b 5.92 .
38 N 4c 39 N 2b 2.79 .
38 N 4c 40 N 2b 5.92 .
39 N 2b 40 N 2b 6.65 .
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-1247382
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