Material:

Mn3Ge5

ID:

MMD-912

Explore database:

Compounds with the same formula: Mn3Ge5 (1 entry found)
Compounds with the same elements: Mn-Ge (14 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

118

Hermann-Mauguin

P-4n2

Hall

P -4 -2n

Point group

-42m

Structure data:

Normalized formula

Mn3Ge5

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

7

Structure search

MP

Lattice parameters:

a (Å)

5.7042

b (Å)

5.7042

c (Å)

13.8289

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

449.970

Density (g/cm3)

7.794

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-64.4 meV/atom

Formation energy above hull

12.0 meV/atom

Phase diagram:

Phase diagram

Related structures:

Compounds with the same formula: Mn3Ge5

1 entry found

Compounds with the same elements: Mn-Ge

14 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

3.97 μB/cell

Averaged magnetic moment

0.12 μB/atom

Magnetic polarization, Js = μ0Ms

0.10 T (= 79.6 emu/cm3)
LMTO-GF calculations (details)

Curie temperature, TC

DFT calculations (details)

Magnetic anisotropy constant, Ka-c

0.24 MJ/m3 (= 0.69 meV/cell)

Magnetic easy axis

c

Magnetic hardness parameter, κ

5.40

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

index species w x y z m (μB) Esoc100 (meV) Esoc001 (meV)
1 Mn 2c 0.500000 0.000000 0.750000 1.67 . .
2 Mn 2c 0.000000 0.500000 0.250000 1.67 . .
3 Mn 2a 0.000000 0.000000 0.000000 -0.53 . .
4 Mn 2a 0.500000 0.500000 0.500000 -0.53 . .
5 Mn 4h 0.500000 0.000000 0.086978 0.02 . .
6 Mn 4h 0.000000 0.500000 0.913022 0.02 . .
7 Mn 4h 0.000000 0.500000 0.586978 0.02 . .
8 Mn 4h 0.500000 0.000000 0.413022 0.02 . .
9 Mn 4e 0.000000 0.000000 0.327843 0.53 . .
10 Mn 4e 0.000000 0.000000 0.672157 0.53 . .
11 Mn 4e 0.500000 0.500000 0.827843 0.53 . .
12 Mn 4e 0.500000 0.500000 0.172157 0.53 . .
13 Ge 4g 0.671166 0.171166 0.250000 -0.02 . .
14 Ge 4g 0.828834 0.671166 0.750000 -0.02 . .
15 Ge 4g 0.328834 0.828834 0.250000 -0.02 . .
16 Ge 4g 0.171166 0.328834 0.750000 -0.02 . .
17 Ge 8i 0.159957 0.195140 0.150857 -0.02 . .
18 Ge 8i 0.804860 0.159957 0.849143 -0.02 . .
19 Ge 8i 0.840043 0.804860 0.150857 -0.02 . .
20 Ge 8i 0.195140 0.840043 0.849143 -0.02 . .
21 Ge 8i 0.340043 0.695140 0.650857 -0.02 . .
22 Ge 8i 0.695140 0.659957 0.349143 -0.02 . .
23 Ge 8i 0.659957 0.304860 0.650857 -0.02 . .
24 Ge 8i 0.304860 0.340043 0.349143 -0.02 . .
25 Ge 8i 0.343274 0.233205 0.949714 -0.01 . .
26 Ge 8i 0.766795 0.343274 0.050286 -0.01 . .
27 Ge 8i 0.656726 0.766795 0.949714 -0.01 . .
28 Ge 8i 0.233205 0.656726 0.050286 -0.01 . .
29 Ge 8i 0.156726 0.733205 0.449714 -0.01 . .
30 Ge 8i 0.733205 0.843274 0.550286 -0.01 . .
31 Ge 8i 0.843274 0.266795 0.449714 -0.01 . .
32 Ge 8i 0.266795 0.156726 0.550286 -0.01 . .
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 Mn 2c 2 Mn 2c 8.00 .
1 Mn 2c 3 Mn 2a 4.48 .
1 Mn 2c 4 Mn 2a 4.48 .
1 Mn 2c 5 Mn 4h 4.66 .
1 Mn 2c 6 Mn 4h 4.62 .
1 Mn 2c 7 Mn 4h 4.62 .
1 Mn 2c 8 Mn 4h 4.66 .
1 Mn 2c 9 Mn 4e 6.50 .
1 Mn 2c 10 Mn 4e 3.05 .
1 Mn 2c 11 Mn 4e 3.05 .
1 Mn 2c 12 Mn 4e 6.50 .
1 Mn 2c 13 Ge 4g 7.05 .
1 Mn 2c 14 Ge 4g 2.65 .
1 Mn 2c 15 Ge 4g 7.05 .
1 Mn 2c 16 Ge 4g 2.65 .
1 Mn 2c 17 Ge 8i 5.98 .
1 Mn 2c 18 Ge 8i 2.40 .
1 Mn 2c 19 Ge 8i 5.98 .
1 Mn 2c 20 Ge 8i 2.40 .
1 Mn 2c 21 Ge 8i 2.40 .
1 Mn 2c 22 Ge 8i 5.98 .
1 Mn 2c 23 Ge 8i 2.40 .
1 Mn 2c 24 Ge 8i 5.98 .
1 Mn 2c 25 Ge 8i 3.19 .
1 Mn 2c 26 Ge 8i 4.84 .
1 Mn 2c 27 Ge 8i 3.19 .
1 Mn 2c 28 Ge 8i 4.84 .
1 Mn 2c 29 Ge 8i 4.84 .
1 Mn 2c 30 Ge 8i 3.19 .
1 Mn 2c 31 Ge 8i 4.84 .
1 Mn 2c 32 Ge 8i 3.19 .
2 Mn 2c 3 Mn 2a 4.48 .
2 Mn 2c 4 Mn 2a 4.48 .
2 Mn 2c 5 Mn 4h 4.62 .
2 Mn 2c 6 Mn 4h 4.66 .
2 Mn 2c 7 Mn 4h 4.66 .
2 Mn 2c 8 Mn 4h 4.62 .
2 Mn 2c 9 Mn 4e 3.05 .
2 Mn 2c 10 Mn 4e 6.50 .
2 Mn 2c 11 Mn 4e 6.50 .
2 Mn 2c 12 Mn 4e 3.05 .
2 Mn 2c 13 Ge 4g 2.65 .
2 Mn 2c 14 Ge 4g 7.05 .
2 Mn 2c 15 Ge 4g 2.65 .
2 Mn 2c 16 Ge 4g 7.05 .
2 Mn 2c 17 Ge 8i 2.40 .
2 Mn 2c 18 Ge 8i 5.98 .
2 Mn 2c 19 Ge 8i 2.40 .
2 Mn 2c 20 Ge 8i 5.98 .
2 Mn 2c 21 Ge 8i 5.98 .
2 Mn 2c 22 Ge 8i 2.40 .
2 Mn 2c 23 Ge 8i 5.98 .
2 Mn 2c 24 Ge 8i 2.40 .
2 Mn 2c 25 Ge 8i 4.84 .
2 Mn 2c 26 Ge 8i 3.19 .
2 Mn 2c 27 Ge 8i 4.84 .
2 Mn 2c 28 Ge 8i 3.19 .
2 Mn 2c 29 Ge 8i 3.19 .
2 Mn 2c 30 Ge 8i 4.84 .
2 Mn 2c 31 Ge 8i 3.19 .
2 Mn 2c 32 Ge 8i 4.84 .
3 Mn 2a 4 Mn 2a 8.00 .
3 Mn 2a 5 Mn 4h 3.10 .
3 Mn 2a 6 Mn 4h 3.10 .
3 Mn 2a 7 Mn 4h 6.38 .
3 Mn 2a 8 Mn 4h 6.38 .
3 Mn 2a 9 Mn 4e 4.53 .
3 Mn 2a 10 Mn 4e 4.53 .
3 Mn 2a 11 Mn 4e 4.68 .
3 Mn 2a 12 Mn 4e 4.68 .
3 Mn 2a 13 Ge 4g 4.05 .
3 Mn 2a 14 Ge 4g 4.05 .
3 Mn 2a 15 Ge 4g 4.05 .
3 Mn 2a 16 Ge 4g 4.05 .
3 Mn 2a 17 Ge 8i 2.53 .
3 Mn 2a 18 Ge 8i 2.53 .
3 Mn 2a 19 Ge 8i 2.53 .
3 Mn 2a 20 Ge 8i 2.53 .
3 Mn 2a 21 Ge 8i 5.49 .
3 Mn 2a 22 Ge 8i 5.49 .
3 Mn 2a 23 Ge 8i 5.49 .
3 Mn 2a 24 Ge 8i 5.49 .
3 Mn 2a 25 Ge 8i 2.47 .
3 Mn 2a 26 Ge 8i 2.47 .
3 Mn 2a 27 Ge 8i 2.47 .
3 Mn 2a 28 Ge 8i 2.47 .
3 Mn 2a 29 Ge 8i 6.46 .
3 Mn 2a 30 Ge 8i 6.46 .
3 Mn 2a 31 Ge 8i 6.46 .
3 Mn 2a 32 Ge 8i 6.46 .
4 Mn 2a 5 Mn 4h 6.38 .
4 Mn 2a 6 Mn 4h 6.38 .
4 Mn 2a 7 Mn 4h 3.10 .
4 Mn 2a 8 Mn 4h 3.10 .
4 Mn 2a 9 Mn 4e 4.68 .
4 Mn 2a 10 Mn 4e 4.68 .
4 Mn 2a 11 Mn 4e 4.53 .
4 Mn 2a 12 Mn 4e 4.53 .
4 Mn 2a 13 Ge 4g 4.05 .
4 Mn 2a 14 Ge 4g 4.05 .
4 Mn 2a 15 Ge 4g 4.05 .
4 Mn 2a 16 Ge 4g 4.05 .
4 Mn 2a 17 Ge 8i 5.49 .
4 Mn 2a 18 Ge 8i 5.49 .
4 Mn 2a 19 Ge 8i 5.49 .
4 Mn 2a 20 Ge 8i 5.49 .
4 Mn 2a 21 Ge 8i 2.53 .
4 Mn 2a 22 Ge 8i 2.53 .
4 Mn 2a 23 Ge 8i 2.53 .
4 Mn 2a 24 Ge 8i 2.53 .
4 Mn 2a 25 Ge 8i 6.46 .
4 Mn 2a 26 Ge 8i 6.46 .
4 Mn 2a 27 Ge 8i 6.46 .
4 Mn 2a 28 Ge 8i 6.46 .
4 Mn 2a 29 Ge 8i 2.47 .
4 Mn 2a 30 Ge 8i 2.47 .
4 Mn 2a 31 Ge 8i 2.47 .
4 Mn 2a 32 Ge 8i 2.47 .
5 Mn 4h 6 Mn 4h 4.70 .
5 Mn 4h 7 Mn 4h 8.00 .
5 Mn 4h 8 Mn 4h 4.51 .
5 Mn 4h 9 Mn 4e 4.39 .
5 Mn 4h 10 Mn 4e 6.41 .
5 Mn 4h 11 Mn 4e 4.58 .
5 Mn 4h 12 Mn 4e 3.09 .
5 Mn 4h 13 Ge 4g 2.64 .
5 Mn 4h 14 Ge 4g 5.36 .
5 Mn 4h 15 Ge 4g 2.64 .
5 Mn 4h 16 Ge 4g 5.36 .
5 Mn 4h 17 Ge 8i 2.40 .
5 Mn 4h 18 Ge 8i 3.83 .
5 Mn 4h 19 Ge 8i 2.40 .
5 Mn 4h 20 Ge 8i 3.83 .
5 Mn 4h 21 Ge 8i 6.34 .
5 Mn 4h 22 Ge 8i 4.26 .
5 Mn 4h 23 Ge 8i 6.34 .
5 Mn 4h 24 Ge 8i 4.26 .
5 Mn 4h 25 Ge 8i 2.48 .
5 Mn 4h 26 Ge 8i 2.53 .
5 Mn 4h 27 Ge 8i 2.48 .
5 Mn 4h 28 Ge 8i 2.53 .
5 Mn 4h 29 Ge 8i 5.60 .
5 Mn 4h 30 Ge 8i 6.60 .
5 Mn 4h 31 Ge 8i 5.60 .
5 Mn 4h 32 Ge 8i 6.60 .
6 Mn 4h 7 Mn 4h 4.51 .
6 Mn 4h 8 Mn 4h 8.00 .
6 Mn 4h 9 Mn 4e 6.41 .
6 Mn 4h 10 Mn 4e 4.39 .
6 Mn 4h 11 Mn 4e 3.09 .
6 Mn 4h 12 Mn 4e 4.58 .
6 Mn 4h 13 Ge 4g 5.36 .
6 Mn 4h 14 Ge 4g 2.64 .
6 Mn 4h 15 Ge 4g 5.36 .
6 Mn 4h 16 Ge 4g 2.64 .
6 Mn 4h 17 Ge 8i 3.83 .
6 Mn 4h 18 Ge 8i 2.40 .
6 Mn 4h 19 Ge 8i 3.83 .
6 Mn 4h 20 Ge 8i 2.40 .
6 Mn 4h 21 Ge 8i 4.26 .
6 Mn 4h 22 Ge 8i 6.34 .
6 Mn 4h 23 Ge 8i 4.26 .
6 Mn 4h 24 Ge 8i 6.34 .
6 Mn 4h 25 Ge 8i 2.53 .
6 Mn 4h 26 Ge 8i 2.48 .
6 Mn 4h 27 Ge 8i 2.53 .
6 Mn 4h 28 Ge 8i 2.48 .
6 Mn 4h 29 Ge 8i 6.60 .
6 Mn 4h 30 Ge 8i 5.60 .
6 Mn 4h 31 Ge 8i 6.60 .
6 Mn 4h 32 Ge 8i 5.60 .
7 Mn 4h 8 Mn 4h 4.70 .
7 Mn 4h 9 Mn 4e 4.58 .
7 Mn 4h 10 Mn 4e 3.09 .
7 Mn 4h 11 Mn 4e 4.39 .
7 Mn 4h 12 Mn 4e 6.41 .
7 Mn 4h 13 Ge 4g 5.36 .
7 Mn 4h 14 Ge 4g 2.64 .
7 Mn 4h 15 Ge 4g 5.36 .
7 Mn 4h 16 Ge 4g 2.64 .
7 Mn 4h 17 Ge 8i 6.34 .
7 Mn 4h 18 Ge 8i 4.26 .
7 Mn 4h 19 Ge 8i 6.34 .
7 Mn 4h 20 Ge 8i 4.26 .
7 Mn 4h 21 Ge 8i 2.40 .
7 Mn 4h 22 Ge 8i 3.83 .
7 Mn 4h 23 Ge 8i 2.40 .
7 Mn 4h 24 Ge 8i 3.83 .
7 Mn 4h 25 Ge 8i 5.60 .
7 Mn 4h 26 Ge 8i 6.60 .
7 Mn 4h 27 Ge 8i 5.60 .
7 Mn 4h 28 Ge 8i 6.60 .
7 Mn 4h 29 Ge 8i 2.48 .
7 Mn 4h 30 Ge 8i 2.53 .
7 Mn 4h 31 Ge 8i 2.48 .
7 Mn 4h 32 Ge 8i 2.53 .
8 Mn 4h 9 Mn 4e 3.09 .
8 Mn 4h 10 Mn 4e 4.58 .
8 Mn 4h 11 Mn 4e 6.41 .
8 Mn 4h 12 Mn 4e 4.39 .
8 Mn 4h 13 Ge 4g 2.64 .
8 Mn 4h 14 Ge 4g 5.36 .
8 Mn 4h 15 Ge 4g 2.64 .
8 Mn 4h 16 Ge 4g 5.36 .
8 Mn 4h 17 Ge 8i 4.26 .
8 Mn 4h 18 Ge 8i 6.34 .
8 Mn 4h 19 Ge 8i 4.26 .
8 Mn 4h 20 Ge 8i 6.34 .
8 Mn 4h 21 Ge 8i 3.83 .
8 Mn 4h 22 Ge 8i 2.40 .
8 Mn 4h 23 Ge 8i 3.83 .
8 Mn 4h 24 Ge 8i 2.40 .
8 Mn 4h 25 Ge 8i 6.60 .
8 Mn 4h 26 Ge 8i 5.60 .
8 Mn 4h 27 Ge 8i 6.60 .
8 Mn 4h 28 Ge 8i 5.60 .
8 Mn 4h 29 Ge 8i 2.53 .
8 Mn 4h 30 Ge 8i 2.48 .
8 Mn 4h 31 Ge 8i 2.53 .
8 Mn 4h 32 Ge 8i 2.48 .
9 Mn 4e 10 Mn 4e 4.76 .
9 Mn 4e 11 Mn 4e 8.00 .
9 Mn 4e 12 Mn 4e 4.57 .
9 Mn 4e 13 Ge 4g 2.37 .
9 Mn 4e 14 Ge 4g 6.21 .
9 Mn 4e 15 Ge 4g 2.37 .
9 Mn 4e 16 Ge 4g 6.21 .
9 Mn 4e 17 Ge 8i 2.84 .
9 Mn 4e 18 Ge 8i 6.77 .
9 Mn 4e 19 Ge 8i 2.84 .
9 Mn 4e 20 Ge 8i 6.77 .
9 Mn 4e 21 Ge 8i 5.17 .
9 Mn 4e 22 Ge 8i 2.62 .
9 Mn 4e 23 Ge 8i 5.17 .
9 Mn 4e 24 Ge 8i 2.62 .
9 Mn 4e 25 Ge 8i 5.74 .
9 Mn 4e 26 Ge 8i 4.51 .
9 Mn 4e 27 Ge 8i 5.74 .
9 Mn 4e 28 Ge 8i 4.51 .
9 Mn 4e 29 Ge 8i 2.44 .
9 Mn 4e 30 Ge 8i 3.55 .
9 Mn 4e 31 Ge 8i 2.44 .
9 Mn 4e 32 Ge 8i 3.55 .
10 Mn 4e 11 Mn 4e 4.57 .
10 Mn 4e 12 Mn 4e 8.00 .
10 Mn 4e 13 Ge 4g 6.21 .
10 Mn 4e 14 Ge 4g 2.37 .
10 Mn 4e 15 Ge 4g 6.21 .
10 Mn 4e 16 Ge 4g 2.37 .
10 Mn 4e 17 Ge 8i 6.77 .
10 Mn 4e 18 Ge 8i 2.84 .
10 Mn 4e 19 Ge 8i 6.77 .
10 Mn 4e 20 Ge 8i 2.84 .
10 Mn 4e 21 Ge 8i 2.62 .
10 Mn 4e 22 Ge 8i 5.17 .
10 Mn 4e 23 Ge 8i 2.62 .
10 Mn 4e 24 Ge 8i 5.17 .
10 Mn 4e 25 Ge 8i 4.51 .
10 Mn 4e 26 Ge 8i 5.74 .
10 Mn 4e 27 Ge 8i 4.51 .
10 Mn 4e 28 Ge 8i 5.74 .
10 Mn 4e 29 Ge 8i 3.55 .
10 Mn 4e 30 Ge 8i 2.44 .
10 Mn 4e 31 Ge 8i 3.55 .
10 Mn 4e 32 Ge 8i 2.44 .
11 Mn 4e 12 Mn 4e 4.76 .
11 Mn 4e 13 Ge 4g 6.21 .
11 Mn 4e 14 Ge 4g 2.37 .
11 Mn 4e 15 Ge 4g 6.21 .
11 Mn 4e 16 Ge 4g 2.37 .
11 Mn 4e 17 Ge 8i 5.17 .
11 Mn 4e 18 Ge 8i 2.62 .
11 Mn 4e 19 Ge 8i 5.17 .
11 Mn 4e 20 Ge 8i 2.62 .
11 Mn 4e 21 Ge 8i 2.84 .
11 Mn 4e 22 Ge 8i 6.77 .
11 Mn 4e 23 Ge 8i 2.84 .
11 Mn 4e 24 Ge 8i 6.77 .
11 Mn 4e 25 Ge 8i 2.44 .
11 Mn 4e 26 Ge 8i 3.55 .
11 Mn 4e 27 Ge 8i 2.44 .
11 Mn 4e 28 Ge 8i 3.55 .
11 Mn 4e 29 Ge 8i 5.74 .
11 Mn 4e 30 Ge 8i 4.51 .
11 Mn 4e 31 Ge 8i 5.74 .
11 Mn 4e 32 Ge 8i 4.51 .
12 Mn 4e 13 Ge 4g 2.37 .
12 Mn 4e 14 Ge 4g 6.21 .
12 Mn 4e 15 Ge 4g 2.37 .
12 Mn 4e 16 Ge 4g 6.21 .
12 Mn 4e 17 Ge 8i 2.62 .
12 Mn 4e 18 Ge 8i 5.17 .
12 Mn 4e 19 Ge 8i 2.62 .
12 Mn 4e 20 Ge 8i 5.17 .
12 Mn 4e 21 Ge 8i 6.77 .
12 Mn 4e 22 Ge 8i 2.84 .
12 Mn 4e 23 Ge 8i 6.77 .
12 Mn 4e 24 Ge 8i 2.84 .
12 Mn 4e 25 Ge 8i 3.55 .
12 Mn 4e 26 Ge 8i 2.44 .
12 Mn 4e 27 Ge 8i 3.55 .
12 Mn 4e 28 Ge 8i 2.44 .
12 Mn 4e 29 Ge 8i 4.51 .
12 Mn 4e 30 Ge 8i 5.74 .
12 Mn 4e 31 Ge 8i 4.51 .
12 Mn 4e 32 Ge 8i 5.74 .
13 Ge 4g 14 Ge 4g 7.53 .
13 Ge 4g 15 Ge 4g 2.76 .
13 Ge 4g 16 Ge 4g 7.53 .
13 Ge 4g 17 Ge 8i 3.11 .
13 Ge 4g 18 Ge 8i 5.60 .
13 Ge 4g 19 Ge 8i 2.68 .
13 Ge 4g 20 Ge 8i 6.46 .
13 Ge 4g 21 Ge 8i 6.46 .
13 Ge 4g 22 Ge 8i 3.11 .
13 Ge 4g 23 Ge 8i 5.60 .
13 Ge 4g 24 Ge 8i 2.68 .
13 Ge 4g 25 Ge 8i 4.57 .
13 Ge 4g 26 Ge 8i 2.98 .
13 Ge 4g 27 Ge 8i 4.75 .
13 Ge 4g 28 Ge 8i 4.64 .
13 Ge 4g 29 Ge 8i 4.64 .
13 Ge 4g 30 Ge 8i 4.57 .
13 Ge 4g 31 Ge 8i 2.98 .
13 Ge 4g 32 Ge 8i 4.75 .
14 Ge 4g 15 Ge 4g 7.53 .
14 Ge 4g 16 Ge 4g 2.76 .
14 Ge 4g 17 Ge 8i 6.46 .
14 Ge 4g 18 Ge 8i 3.11 .
14 Ge 4g 19 Ge 8i 5.60 .
14 Ge 4g 20 Ge 8i 2.68 .
14 Ge 4g 21 Ge 8i 3.11 .
14 Ge 4g 22 Ge 8i 5.60 .
14 Ge 4g 23 Ge 8i 2.68 .
14 Ge 4g 24 Ge 8i 6.46 .
14 Ge 4g 25 Ge 8i 4.64 .
14 Ge 4g 26 Ge 8i 4.57 .
14 Ge 4g 27 Ge 8i 2.98 .
14 Ge 4g 28 Ge 8i 4.75 .
14 Ge 4g 29 Ge 8i 4.57 .
14 Ge 4g 30 Ge 8i 2.98 .
14 Ge 4g 31 Ge 8i 4.75 .
14 Ge 4g 32 Ge 8i 4.64 .
15 Ge 4g 16 Ge 4g 7.53 .
15 Ge 4g 17 Ge 8i 2.68 .
15 Ge 4g 18 Ge 8i 6.46 .
15 Ge 4g 19 Ge 8i 3.11 .
15 Ge 4g 20 Ge 8i 5.60 .
15 Ge 4g 21 Ge 8i 5.60 .
15 Ge 4g 22 Ge 8i 2.68 .
15 Ge 4g 23 Ge 8i 6.46 .
15 Ge 4g 24 Ge 8i 3.11 .
15 Ge 4g 25 Ge 8i 4.75 .
15 Ge 4g 26 Ge 8i 4.64 .
15 Ge 4g 27 Ge 8i 4.57 .
15 Ge 4g 28 Ge 8i 2.98 .
15 Ge 4g 29 Ge 8i 2.98 .
15 Ge 4g 30 Ge 8i 4.75 .
15 Ge 4g 31 Ge 8i 4.64 .
15 Ge 4g 32 Ge 8i 4.57 .
16 Ge 4g 17 Ge 8i 5.60 .
16 Ge 4g 18 Ge 8i 2.68 .
16 Ge 4g 19 Ge 8i 6.46 .
16 Ge 4g 20 Ge 8i 3.11 .
16 Ge 4g 21 Ge 8i 2.68 .
16 Ge 4g 22 Ge 8i 6.46 .
16 Ge 4g 23 Ge 8i 3.11 .
16 Ge 4g 24 Ge 8i 5.60 .
16 Ge 4g 25 Ge 8i 2.98 .
16 Ge 4g 26 Ge 8i 4.75 .
16 Ge 4g 27 Ge 8i 4.64 .
16 Ge 4g 28 Ge 8i 4.57 .
16 Ge 4g 29 Ge 8i 4.75 .
16 Ge 4g 30 Ge 8i 4.64 .
16 Ge 4g 31 Ge 8i 4.57 .
16 Ge 4g 32 Ge 8i 2.98 .
17 Ge 8i 18 Ge 8i 4.64 .
17 Ge 8i 19 Ge 8i 2.88 .
17 Ge 8i 20 Ge 8i 4.64 .
17 Ge 8i 21 Ge 8i 7.55 .
17 Ge 8i 22 Ge 8i 4.65 .
17 Ge 8i 23 Ge 8i 7.51 .
17 Ge 8i 24 Ge 8i 2.98 .
17 Ge 8i 25 Ge 8i 2.98 .
17 Ge 8i 26 Ge 8i 2.77 .
17 Ge 8i 27 Ge 8i 4.66 .
17 Ge 8i 28 Ge 8i 3.01 .
17 Ge 8i 29 Ge 8i 4.90 .
17 Ge 8i 30 Ge 8i 6.36 .
17 Ge 8i 31 Ge 8i 4.53 .
17 Ge 8i 32 Ge 8i 5.56 .
18 Ge 8i 19 Ge 8i 4.64 .
18 Ge 8i 20 Ge 8i 2.88 .
18 Ge 8i 21 Ge 8i 4.65 .
18 Ge 8i 22 Ge 8i 7.51 .
18 Ge 8i 23 Ge 8i 2.98 .
18 Ge 8i 24 Ge 8i 7.55 .
18 Ge 8i 25 Ge 8i 3.01 .
18 Ge 8i 26 Ge 8i 2.98 .
18 Ge 8i 27 Ge 8i 2.77 .
18 Ge 8i 28 Ge 8i 4.66 .
18 Ge 8i 29 Ge 8i 6.36 .
18 Ge 8i 30 Ge 8i 4.53 .
18 Ge 8i 31 Ge 8i 5.56 .
18 Ge 8i 32 Ge 8i 4.90 .
19 Ge 8i 20 Ge 8i 4.64 .
19 Ge 8i 21 Ge 8i 7.51 .
19 Ge 8i 22 Ge 8i 2.98 .
19 Ge 8i 23 Ge 8i 7.55 .
19 Ge 8i 24 Ge 8i 4.65 .
19 Ge 8i 25 Ge 8i 4.66 .
19 Ge 8i 26 Ge 8i 3.01 .
19 Ge 8i 27 Ge 8i 2.98 .
19 Ge 8i 28 Ge 8i 2.77 .
19 Ge 8i 29 Ge 8i 4.53 .
19 Ge 8i 30 Ge 8i 5.56 .
19 Ge 8i 31 Ge 8i 4.90 .
19 Ge 8i 32 Ge 8i 6.36 .
20 Ge 8i 21 Ge 8i 2.98 .
20 Ge 8i 22 Ge 8i 7.55 .
20 Ge 8i 23 Ge 8i 4.65 .
20 Ge 8i 24 Ge 8i 7.51 .
20 Ge 8i 25 Ge 8i 2.77 .
20 Ge 8i 26 Ge 8i 4.66 .
20 Ge 8i 27 Ge 8i 3.01 .
20 Ge 8i 28 Ge 8i 2.98 .
20 Ge 8i 29 Ge 8i 5.56 .
20 Ge 8i 30 Ge 8i 4.90 .
20 Ge 8i 31 Ge 8i 6.36 .
20 Ge 8i 32 Ge 8i 4.53 .
21 Ge 8i 22 Ge 8i 4.64 .
21 Ge 8i 23 Ge 8i 2.88 .
21 Ge 8i 24 Ge 8i 4.64 .
21 Ge 8i 25 Ge 8i 4.90 .
21 Ge 8i 26 Ge 8i 6.36 .
21 Ge 8i 27 Ge 8i 4.53 .
21 Ge 8i 28 Ge 8i 5.56 .
21 Ge 8i 29 Ge 8i 2.98 .
21 Ge 8i 30 Ge 8i 2.77 .
21 Ge 8i 31 Ge 8i 4.66 .
21 Ge 8i 32 Ge 8i 3.01 .
22 Ge 8i 23 Ge 8i 4.64 .
22 Ge 8i 24 Ge 8i 2.88 .
22 Ge 8i 25 Ge 8i 6.36 .
22 Ge 8i 26 Ge 8i 4.53 .
22 Ge 8i 27 Ge 8i 5.56 .
22 Ge 8i 28 Ge 8i 4.90 .
22 Ge 8i 29 Ge 8i 3.01 .
22 Ge 8i 30 Ge 8i 2.98 .
22 Ge 8i 31 Ge 8i 2.77 .
22 Ge 8i 32 Ge 8i 4.66 .
23 Ge 8i 24 Ge 8i 4.64 .
23 Ge 8i 25 Ge 8i 4.53 .
23 Ge 8i 26 Ge 8i 5.56 .
23 Ge 8i 27 Ge 8i 4.90 .
23 Ge 8i 28 Ge 8i 6.36 .
23 Ge 8i 29 Ge 8i 4.66 .
23 Ge 8i 30 Ge 8i 3.01 .
23 Ge 8i 31 Ge 8i 2.98 .
23 Ge 8i 32 Ge 8i 2.77 .
24 Ge 8i 25 Ge 8i 5.56 .
24 Ge 8i 26 Ge 8i 4.90 .
24 Ge 8i 27 Ge 8i 6.36 .
24 Ge 8i 28 Ge 8i 4.53 .
24 Ge 8i 29 Ge 8i 2.77 .
24 Ge 8i 30 Ge 8i 4.66 .
24 Ge 8i 31 Ge 8i 3.01 .
24 Ge 8i 32 Ge 8i 2.98 .
25 Ge 8i 26 Ge 8i 2.86 .
25 Ge 8i 27 Ge 8i 3.21 .
25 Ge 8i 28 Ge 8i 2.86 .
25 Ge 8i 29 Ge 8i 7.55 .
25 Ge 8i 30 Ge 8i 6.36 .
25 Ge 8i 31 Ge 8i 7.48 .
25 Ge 8i 32 Ge 8i 5.56 .
26 Ge 8i 27 Ge 8i 2.86 .
26 Ge 8i 28 Ge 8i 3.21 .
26 Ge 8i 29 Ge 8i 6.36 .
26 Ge 8i 30 Ge 8i 7.48 .
26 Ge 8i 31 Ge 8i 5.56 .
26 Ge 8i 32 Ge 8i 7.55 .
27 Ge 8i 28 Ge 8i 2.86 .
27 Ge 8i 29 Ge 8i 7.48 .
27 Ge 8i 30 Ge 8i 5.56 .
27 Ge 8i 31 Ge 8i 7.55 .
27 Ge 8i 32 Ge 8i 6.36 .
28 Ge 8i 29 Ge 8i 5.56 .
28 Ge 8i 30 Ge 8i 7.55 .
28 Ge 8i 31 Ge 8i 6.36 .
28 Ge 8i 32 Ge 8i 7.48 .
29 Ge 8i 30 Ge 8i 2.86 .
29 Ge 8i 31 Ge 8i 3.21 .
29 Ge 8i 32 Ge 8i 2.86 .
30 Ge 8i 31 Ge 8i 2.86 .
30 Ge 8i 32 Ge 8i 3.21 .
31 Ge 8i 32 Ge 8i 2.86 .
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) = (12, 12, 4) 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-1097859
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