Material:

Mn2FeGe5

ID:

MMD-2481

Explore database:

Compounds with the same formula: Mn2FeGe5 (1 entry found)
Compounds with the same elements: Mn-Fe-Ge (4 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

Mn2FeGe5

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)

5.6894

b (Å)

5.6894

c (Å)

13.6974

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

443.379

Density (g/cm3)

7.924

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-72.8 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: Mn2FeGe5

1 entry found

Compounds with the same elements: Mn-Fe-Ge

4 entries found

Binary compounds in Mn-Fe system

6 entries found

Binary compounds in Mn-Ge system

14 entries found

Binary compounds in Fe-Ge system

21 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 Mn 2c 0.500000 0.000000 0.750000 -0.01 . .
2 Mn 2c 0.000000 0.500000 0.250000 -0.01 . .
3 Mn 2a 0.000000 0.000000 0.000000 0.01 . .
4 Mn 2a 0.500000 0.500000 0.500000 0.01 . .
5 Mn 4e 0.000000 0.000000 0.327933 0.00 . .
6 Mn 4e 0.000000 0.000000 0.672067 0.00 . .
7 Mn 4e 0.500000 0.500000 0.827933 0.00 . .
8 Mn 4e 0.500000 0.500000 0.172067 0.00 . .
9 Fe 4h 0.500000 0.000000 0.086762 -0.00 . .
10 Fe 4h 0.000000 0.500000 0.913238 -0.00 . .
11 Fe 4h 0.000000 0.500000 0.586762 -0.00 . .
12 Fe 4h 0.500000 0.000000 0.413238 -0.00 . .
13 Ge 4g 0.675318 0.175318 0.250000 -0.00 . .
14 Ge 4g 0.824682 0.675318 0.750000 -0.00 . .
15 Ge 4g 0.324682 0.824682 0.250000 -0.00 . .
16 Ge 4g 0.175318 0.324682 0.750000 -0.00 . .
17 Ge 8i 0.159009 0.196614 0.151703 0.00 . .
18 Ge 8i 0.803386 0.159009 0.848297 0.00 . .
19 Ge 8i 0.840991 0.803386 0.151703 0.00 . .
20 Ge 8i 0.196614 0.840991 0.848297 0.00 . .
21 Ge 8i 0.340991 0.696614 0.651703 0.00 . .
22 Ge 8i 0.696614 0.659009 0.348297 0.00 . .
23 Ge 8i 0.659009 0.303386 0.651703 0.00 . .
24 Ge 8i 0.303386 0.340991 0.348297 0.00 . .
25 Ge 8i 0.343739 0.230785 0.948233 -0.00 . .
26 Ge 8i 0.769215 0.343739 0.051767 -0.00 . .
27 Ge 8i 0.656261 0.769215 0.948233 -0.00 . .
28 Ge 8i 0.230785 0.656261 0.051767 -0.00 . .
29 Ge 8i 0.156261 0.730785 0.448233 -0.00 . .
30 Ge 8i 0.730785 0.843739 0.551767 -0.00 . .
31 Ge 8i 0.843739 0.269215 0.448233 -0.00 . .
32 Ge 8i 0.269215 0.156261 0.551767 -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 Mn 2c 2 Mn 2c 7.94 .
1 Mn 2c 3 Mn 2a 4.45 .
1 Mn 2c 4 Mn 2a 4.45 .
1 Mn 2c 5 Mn 4e 6.44 .
1 Mn 2c 6 Mn 4e 3.04 .
1 Mn 2c 7 Mn 4e 3.04 .
1 Mn 2c 8 Mn 4e 6.44 .
1 Mn 2c 9 Fe 4h 4.61 .
1 Mn 2c 10 Fe 4h 4.60 .
1 Mn 2c 11 Fe 4h 4.60 .
1 Mn 2c 12 Fe 4h 4.61 .
1 Mn 2c 13 Ge 4g 6.99 .
1 Mn 2c 14 Ge 4g 2.61 .
1 Mn 2c 15 Ge 4g 6.99 .
1 Mn 2c 16 Ge 4g 2.61 .
1 Mn 2c 17 Ge 8i 5.94 .
1 Mn 2c 18 Ge 8i 2.37 .
1 Mn 2c 19 Ge 8i 5.94 .
1 Mn 2c 20 Ge 8i 2.37 .
1 Mn 2c 21 Ge 8i 2.37 .
1 Mn 2c 22 Ge 8i 5.94 .
1 Mn 2c 23 Ge 8i 2.37 .
1 Mn 2c 24 Ge 8i 5.94 .
1 Mn 2c 25 Ge 8i 3.14 .
1 Mn 2c 26 Ge 8i 4.82 .
1 Mn 2c 27 Ge 8i 3.14 .
1 Mn 2c 28 Ge 8i 4.82 .
1 Mn 2c 29 Ge 8i 4.82 .
1 Mn 2c 30 Ge 8i 3.14 .
1 Mn 2c 31 Ge 8i 4.82 .
1 Mn 2c 32 Ge 8i 3.14 .
2 Mn 2c 3 Mn 2a 4.45 .
2 Mn 2c 4 Mn 2a 4.45 .
2 Mn 2c 5 Mn 4e 3.04 .
2 Mn 2c 6 Mn 4e 6.44 .
2 Mn 2c 7 Mn 4e 6.44 .
2 Mn 2c 8 Mn 4e 3.04 .
2 Mn 2c 9 Fe 4h 4.60 .
2 Mn 2c 10 Fe 4h 4.61 .
2 Mn 2c 11 Fe 4h 4.61 .
2 Mn 2c 12 Fe 4h 4.60 .
2 Mn 2c 13 Ge 4g 2.61 .
2 Mn 2c 14 Ge 4g 6.99 .
2 Mn 2c 15 Ge 4g 2.61 .
2 Mn 2c 16 Ge 4g 6.99 .
2 Mn 2c 17 Ge 8i 2.37 .
2 Mn 2c 18 Ge 8i 5.94 .
2 Mn 2c 19 Ge 8i 2.37 .
2 Mn 2c 20 Ge 8i 5.94 .
2 Mn 2c 21 Ge 8i 5.94 .
2 Mn 2c 22 Ge 8i 2.37 .
2 Mn 2c 23 Ge 8i 5.94 .
2 Mn 2c 24 Ge 8i 2.37 .
2 Mn 2c 25 Ge 8i 4.82 .
2 Mn 2c 26 Ge 8i 3.14 .
2 Mn 2c 27 Ge 8i 4.82 .
2 Mn 2c 28 Ge 8i 3.14 .
2 Mn 2c 29 Ge 8i 3.14 .
2 Mn 2c 30 Ge 8i 4.82 .
2 Mn 2c 31 Ge 8i 3.14 .
2 Mn 2c 32 Ge 8i 4.82 .
3 Mn 2a 4 Mn 2a 7.94 .
3 Mn 2a 5 Mn 4e 4.49 .
3 Mn 2a 6 Mn 4e 4.49 .
3 Mn 2a 7 Mn 4e 4.66 .
3 Mn 2a 8 Mn 4e 4.66 .
3 Mn 2a 9 Fe 4h 3.08 .
3 Mn 2a 10 Fe 4h 3.08 .
3 Mn 2a 11 Fe 4h 6.33 .
3 Mn 2a 12 Fe 4h 6.33 .
3 Mn 2a 13 Ge 4g 4.02 .
3 Mn 2a 14 Ge 4g 4.02 .
3 Mn 2a 15 Ge 4g 4.02 .
3 Mn 2a 16 Ge 4g 4.02 .
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 5.43 .
3 Mn 2a 22 Ge 8i 5.43 .
3 Mn 2a 23 Ge 8i 5.43 .
3 Mn 2a 24 Ge 8i 5.43 .
3 Mn 2a 25 Ge 8i 2.46 .
3 Mn 2a 26 Ge 8i 2.46 .
3 Mn 2a 27 Ge 8i 2.46 .
3 Mn 2a 28 Ge 8i 2.46 .
3 Mn 2a 29 Ge 8i 6.39 .
3 Mn 2a 30 Ge 8i 6.39 .
3 Mn 2a 31 Ge 8i 6.39 .
3 Mn 2a 32 Ge 8i 6.39 .
4 Mn 2a 5 Mn 4e 4.66 .
4 Mn 2a 6 Mn 4e 4.66 .
4 Mn 2a 7 Mn 4e 4.49 .
4 Mn 2a 8 Mn 4e 4.49 .
4 Mn 2a 9 Fe 4h 6.33 .
4 Mn 2a 10 Fe 4h 6.33 .
4 Mn 2a 11 Fe 4h 3.08 .
4 Mn 2a 12 Fe 4h 3.08 .
4 Mn 2a 13 Ge 4g 4.02 .
4 Mn 2a 14 Ge 4g 4.02 .
4 Mn 2a 15 Ge 4g 4.02 .
4 Mn 2a 16 Ge 4g 4.02 .
4 Mn 2a 17 Ge 8i 5.43 .
4 Mn 2a 18 Ge 8i 5.43 .
4 Mn 2a 19 Ge 8i 5.43 .
4 Mn 2a 20 Ge 8i 5.43 .
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 6.39 .
4 Mn 2a 26 Ge 8i 6.39 .
4 Mn 2a 27 Ge 8i 6.39 .
4 Mn 2a 28 Ge 8i 6.39 .
4 Mn 2a 29 Ge 8i 2.46 .
4 Mn 2a 30 Ge 8i 2.46 .
4 Mn 2a 31 Ge 8i 2.46 .
4 Mn 2a 32 Ge 8i 2.46 .
5 Mn 4e 6 Mn 4e 4.71 .
5 Mn 4e 7 Mn 4e 7.94 .
5 Mn 4e 8 Mn 4e 4.55 .
5 Mn 4e 9 Fe 4h 4.36 .
5 Mn 4e 10 Fe 4h 6.35 .
5 Mn 4e 11 Fe 4h 4.55 .
5 Mn 4e 12 Fe 4h 3.08 .
5 Mn 4e 13 Ge 4g 2.36 .
5 Mn 4e 14 Ge 4g 6.15 .
5 Mn 4e 15 Ge 4g 2.36 .
5 Mn 4e 16 Ge 4g 6.15 .
5 Mn 4e 17 Ge 8i 2.81 .
5 Mn 4e 18 Ge 8i 6.73 .
5 Mn 4e 19 Ge 8i 2.81 .
5 Mn 4e 20 Ge 8i 6.73 .
5 Mn 4e 21 Ge 8i 5.14 .
5 Mn 4e 22 Ge 8i 2.61 .
5 Mn 4e 23 Ge 8i 5.14 .
5 Mn 4e 24 Ge 8i 2.61 .
5 Mn 4e 25 Ge 8i 5.71 .
5 Mn 4e 26 Ge 8i 4.46 .
5 Mn 4e 27 Ge 8i 5.71 .
5 Mn 4e 28 Ge 8i 4.46 .
5 Mn 4e 29 Ge 8i 2.42 .
5 Mn 4e 30 Ge 8i 3.54 .
5 Mn 4e 31 Ge 8i 2.42 .
5 Mn 4e 32 Ge 8i 3.54 .
6 Mn 4e 7 Mn 4e 4.55 .
6 Mn 4e 8 Mn 4e 7.94 .
6 Mn 4e 9 Fe 4h 6.35 .
6 Mn 4e 10 Fe 4h 4.36 .
6 Mn 4e 11 Fe 4h 3.08 .
6 Mn 4e 12 Fe 4h 4.55 .
6 Mn 4e 13 Ge 4g 6.15 .
6 Mn 4e 14 Ge 4g 2.36 .
6 Mn 4e 15 Ge 4g 6.15 .
6 Mn 4e 16 Ge 4g 2.36 .
6 Mn 4e 17 Ge 8i 6.73 .
6 Mn 4e 18 Ge 8i 2.81 .
6 Mn 4e 19 Ge 8i 6.73 .
6 Mn 4e 20 Ge 8i 2.81 .
6 Mn 4e 21 Ge 8i 2.61 .
6 Mn 4e 22 Ge 8i 5.14 .
6 Mn 4e 23 Ge 8i 2.61 .
6 Mn 4e 24 Ge 8i 5.14 .
6 Mn 4e 25 Ge 8i 4.46 .
6 Mn 4e 26 Ge 8i 5.71 .
6 Mn 4e 27 Ge 8i 4.46 .
6 Mn 4e 28 Ge 8i 5.71 .
6 Mn 4e 29 Ge 8i 3.54 .
6 Mn 4e 30 Ge 8i 2.42 .
6 Mn 4e 31 Ge 8i 3.54 .
6 Mn 4e 32 Ge 8i 2.42 .
7 Mn 4e 8 Mn 4e 4.71 .
7 Mn 4e 9 Fe 4h 4.55 .
7 Mn 4e 10 Fe 4h 3.08 .
7 Mn 4e 11 Fe 4h 4.36 .
7 Mn 4e 12 Fe 4h 6.35 .
7 Mn 4e 13 Ge 4g 6.15 .
7 Mn 4e 14 Ge 4g 2.36 .
7 Mn 4e 15 Ge 4g 6.15 .
7 Mn 4e 16 Ge 4g 2.36 .
7 Mn 4e 17 Ge 8i 5.14 .
7 Mn 4e 18 Ge 8i 2.61 .
7 Mn 4e 19 Ge 8i 5.14 .
7 Mn 4e 20 Ge 8i 2.61 .
7 Mn 4e 21 Ge 8i 2.81 .
7 Mn 4e 22 Ge 8i 6.73 .
7 Mn 4e 23 Ge 8i 2.81 .
7 Mn 4e 24 Ge 8i 6.73 .
7 Mn 4e 25 Ge 8i 2.42 .
7 Mn 4e 26 Ge 8i 3.54 .
7 Mn 4e 27 Ge 8i 2.42 .
7 Mn 4e 28 Ge 8i 3.54 .
7 Mn 4e 29 Ge 8i 5.71 .
7 Mn 4e 30 Ge 8i 4.46 .
7 Mn 4e 31 Ge 8i 5.71 .
7 Mn 4e 32 Ge 8i 4.46 .
8 Mn 4e 9 Fe 4h 3.08 .
8 Mn 4e 10 Fe 4h 4.55 .
8 Mn 4e 11 Fe 4h 6.35 .
8 Mn 4e 12 Fe 4h 4.36 .
8 Mn 4e 13 Ge 4g 2.36 .
8 Mn 4e 14 Ge 4g 6.15 .
8 Mn 4e 15 Ge 4g 2.36 .
8 Mn 4e 16 Ge 4g 6.15 .
8 Mn 4e 17 Ge 8i 2.61 .
8 Mn 4e 18 Ge 8i 5.14 .
8 Mn 4e 19 Ge 8i 2.61 .
8 Mn 4e 20 Ge 8i 5.14 .
8 Mn 4e 21 Ge 8i 6.73 .
8 Mn 4e 22 Ge 8i 2.81 .
8 Mn 4e 23 Ge 8i 6.73 .
8 Mn 4e 24 Ge 8i 2.81 .
8 Mn 4e 25 Ge 8i 3.54 .
8 Mn 4e 26 Ge 8i 2.42 .
8 Mn 4e 27 Ge 8i 3.54 .
8 Mn 4e 28 Ge 8i 2.42 .
8 Mn 4e 29 Ge 8i 4.46 .
8 Mn 4e 30 Ge 8i 5.71 .
8 Mn 4e 31 Ge 8i 4.46 .
8 Mn 4e 32 Ge 8i 5.71 .
9 Fe 4h 10 Fe 4h 4.67 .
9 Fe 4h 11 Fe 4h 7.94 .
9 Fe 4h 12 Fe 4h 4.47 .
9 Fe 4h 13 Ge 4g 2.64 .
9 Fe 4h 14 Ge 4g 5.30 .
9 Fe 4h 15 Ge 4g 2.64 .
9 Fe 4h 16 Ge 4g 5.30 .
9 Fe 4h 17 Ge 8i 2.41 .
9 Fe 4h 18 Ge 8i 3.80 .
9 Fe 4h 19 Ge 8i 2.41 .
9 Fe 4h 20 Ge 8i 3.80 .
9 Fe 4h 21 Ge 8i 6.27 .
9 Fe 4h 22 Ge 8i 4.22 .
9 Fe 4h 23 Ge 8i 6.27 .
9 Fe 4h 24 Ge 8i 4.22 .
9 Fe 4h 25 Ge 8i 2.47 .
9 Fe 4h 26 Ge 8i 2.53 .
9 Fe 4h 27 Ge 8i 2.47 .
9 Fe 4h 28 Ge 8i 2.53 .
9 Fe 4h 29 Ge 8i 5.54 .
9 Fe 4h 30 Ge 8i 6.56 .
9 Fe 4h 31 Ge 8i 5.54 .
9 Fe 4h 32 Ge 8i 6.56 .
10 Fe 4h 11 Fe 4h 4.47 .
10 Fe 4h 12 Fe 4h 7.94 .
10 Fe 4h 13 Ge 4g 5.30 .
10 Fe 4h 14 Ge 4g 2.64 .
10 Fe 4h 15 Ge 4g 5.30 .
10 Fe 4h 16 Ge 4g 2.64 .
10 Fe 4h 17 Ge 8i 3.80 .
10 Fe 4h 18 Ge 8i 2.41 .
10 Fe 4h 19 Ge 8i 3.80 .
10 Fe 4h 20 Ge 8i 2.41 .
10 Fe 4h 21 Ge 8i 4.22 .
10 Fe 4h 22 Ge 8i 6.27 .
10 Fe 4h 23 Ge 8i 4.22 .
10 Fe 4h 24 Ge 8i 6.27 .
10 Fe 4h 25 Ge 8i 2.53 .
10 Fe 4h 26 Ge 8i 2.47 .
10 Fe 4h 27 Ge 8i 2.53 .
10 Fe 4h 28 Ge 8i 2.47 .
10 Fe 4h 29 Ge 8i 6.56 .
10 Fe 4h 30 Ge 8i 5.54 .
10 Fe 4h 31 Ge 8i 6.56 .
10 Fe 4h 32 Ge 8i 5.54 .
11 Fe 4h 12 Fe 4h 4.67 .
11 Fe 4h 13 Ge 4g 5.30 .
11 Fe 4h 14 Ge 4g 2.64 .
11 Fe 4h 15 Ge 4g 5.30 .
11 Fe 4h 16 Ge 4g 2.64 .
11 Fe 4h 17 Ge 8i 6.27 .
11 Fe 4h 18 Ge 8i 4.22 .
11 Fe 4h 19 Ge 8i 6.27 .
11 Fe 4h 20 Ge 8i 4.22 .
11 Fe 4h 21 Ge 8i 2.41 .
11 Fe 4h 22 Ge 8i 3.80 .
11 Fe 4h 23 Ge 8i 2.41 .
11 Fe 4h 24 Ge 8i 3.80 .
11 Fe 4h 25 Ge 8i 5.54 .
11 Fe 4h 26 Ge 8i 6.56 .
11 Fe 4h 27 Ge 8i 5.54 .
11 Fe 4h 28 Ge 8i 6.56 .
11 Fe 4h 29 Ge 8i 2.47 .
11 Fe 4h 30 Ge 8i 2.53 .
11 Fe 4h 31 Ge 8i 2.47 .
11 Fe 4h 32 Ge 8i 2.53 .
12 Fe 4h 13 Ge 4g 2.64 .
12 Fe 4h 14 Ge 4g 5.30 .
12 Fe 4h 15 Ge 4g 2.64 .
12 Fe 4h 16 Ge 4g 5.30 .
12 Fe 4h 17 Ge 8i 4.22 .
12 Fe 4h 18 Ge 8i 6.27 .
12 Fe 4h 19 Ge 8i 4.22 .
12 Fe 4h 20 Ge 8i 6.27 .
12 Fe 4h 21 Ge 8i 3.80 .
12 Fe 4h 22 Ge 8i 2.41 .
12 Fe 4h 23 Ge 8i 3.80 .
12 Fe 4h 24 Ge 8i 2.41 .
12 Fe 4h 25 Ge 8i 6.56 .
12 Fe 4h 26 Ge 8i 5.54 .
12 Fe 4h 27 Ge 8i 6.56 .
12 Fe 4h 28 Ge 8i 5.54 .
12 Fe 4h 29 Ge 8i 2.53 .
12 Fe 4h 30 Ge 8i 2.47 .
12 Fe 4h 31 Ge 8i 2.53 .
12 Fe 4h 32 Ge 8i 2.47 .
13 Ge 4g 14 Ge 4g 7.46 .
13 Ge 4g 15 Ge 4g 2.82 .
13 Ge 4g 16 Ge 4g 7.46 .
13 Ge 4g 17 Ge 8i 3.07 .
13 Ge 4g 18 Ge 8i 5.55 .
13 Ge 4g 19 Ge 8i 2.68 .
13 Ge 4g 20 Ge 8i 6.43 .
13 Ge 4g 21 Ge 8i 6.43 .
13 Ge 4g 22 Ge 8i 3.07 .
13 Ge 4g 23 Ge 8i 5.55 .
13 Ge 4g 24 Ge 8i 2.68 .
13 Ge 4g 25 Ge 8i 4.55 .
13 Ge 4g 26 Ge 8i 2.93 .
13 Ge 4g 27 Ge 8i 4.74 .
13 Ge 4g 28 Ge 8i 4.61 .
13 Ge 4g 29 Ge 8i 4.61 .
13 Ge 4g 30 Ge 8i 4.55 .
13 Ge 4g 31 Ge 8i 2.93 .
13 Ge 4g 32 Ge 8i 4.74 .
14 Ge 4g 15 Ge 4g 7.46 .
14 Ge 4g 16 Ge 4g 2.82 .
14 Ge 4g 17 Ge 8i 6.43 .
14 Ge 4g 18 Ge 8i 3.07 .
14 Ge 4g 19 Ge 8i 5.55 .
14 Ge 4g 20 Ge 8i 2.68 .
14 Ge 4g 21 Ge 8i 3.07 .
14 Ge 4g 22 Ge 8i 5.55 .
14 Ge 4g 23 Ge 8i 2.68 .
14 Ge 4g 24 Ge 8i 6.43 .
14 Ge 4g 25 Ge 8i 4.61 .
14 Ge 4g 26 Ge 8i 4.55 .
14 Ge 4g 27 Ge 8i 2.93 .
14 Ge 4g 28 Ge 8i 4.74 .
14 Ge 4g 29 Ge 8i 4.55 .
14 Ge 4g 30 Ge 8i 2.93 .
14 Ge 4g 31 Ge 8i 4.74 .
14 Ge 4g 32 Ge 8i 4.61 .
15 Ge 4g 16 Ge 4g 7.46 .
15 Ge 4g 17 Ge 8i 2.68 .
15 Ge 4g 18 Ge 8i 6.43 .
15 Ge 4g 19 Ge 8i 3.07 .
15 Ge 4g 20 Ge 8i 5.55 .
15 Ge 4g 21 Ge 8i 5.55 .
15 Ge 4g 22 Ge 8i 2.68 .
15 Ge 4g 23 Ge 8i 6.43 .
15 Ge 4g 24 Ge 8i 3.07 .
15 Ge 4g 25 Ge 8i 4.74 .
15 Ge 4g 26 Ge 8i 4.61 .
15 Ge 4g 27 Ge 8i 4.55 .
15 Ge 4g 28 Ge 8i 2.93 .
15 Ge 4g 29 Ge 8i 2.93 .
15 Ge 4g 30 Ge 8i 4.74 .
15 Ge 4g 31 Ge 8i 4.61 .
15 Ge 4g 32 Ge 8i 4.55 .
16 Ge 4g 17 Ge 8i 5.55 .
16 Ge 4g 18 Ge 8i 2.68 .
16 Ge 4g 19 Ge 8i 6.43 .
16 Ge 4g 20 Ge 8i 3.07 .
16 Ge 4g 21 Ge 8i 2.68 .
16 Ge 4g 22 Ge 8i 6.43 .
16 Ge 4g 23 Ge 8i 3.07 .
16 Ge 4g 24 Ge 8i 5.55 .
16 Ge 4g 25 Ge 8i 2.93 .
16 Ge 4g 26 Ge 8i 4.74 .
16 Ge 4g 27 Ge 8i 4.61 .
16 Ge 4g 28 Ge 8i 4.55 .
16 Ge 4g 29 Ge 8i 4.74 .
16 Ge 4g 30 Ge 8i 4.61 .
16 Ge 4g 31 Ge 8i 4.55 .
16 Ge 4g 32 Ge 8i 2.93 .
17 Ge 8i 18 Ge 8i 4.63 .
17 Ge 8i 19 Ge 8i 2.88 .
17 Ge 8i 20 Ge 8i 4.63 .
17 Ge 8i 21 Ge 8i 7.49 .
17 Ge 8i 22 Ge 8i 4.59 .
17 Ge 8i 23 Ge 8i 7.44 .
17 Ge 8i 24 Ge 8i 2.93 .
17 Ge 8i 25 Ge 8i 2.98 .
17 Ge 8i 26 Ge 8i 2.74 .
17 Ge 8i 27 Ge 8i 4.66 .
17 Ge 8i 28 Ge 8i 2.98 .
17 Ge 8i 29 Ge 8i 4.85 .
17 Ge 8i 30 Ge 8i 6.32 .
17 Ge 8i 31 Ge 8i 4.46 .
17 Ge 8i 32 Ge 8i 5.52 .
18 Ge 8i 19 Ge 8i 4.63 .
18 Ge 8i 20 Ge 8i 2.88 .
18 Ge 8i 21 Ge 8i 4.59 .
18 Ge 8i 22 Ge 8i 7.44 .
18 Ge 8i 23 Ge 8i 2.93 .
18 Ge 8i 24 Ge 8i 7.49 .
18 Ge 8i 25 Ge 8i 2.98 .
18 Ge 8i 26 Ge 8i 2.98 .
18 Ge 8i 27 Ge 8i 2.74 .
18 Ge 8i 28 Ge 8i 4.66 .
18 Ge 8i 29 Ge 8i 6.32 .
18 Ge 8i 30 Ge 8i 4.46 .
18 Ge 8i 31 Ge 8i 5.52 .
18 Ge 8i 32 Ge 8i 4.85 .
19 Ge 8i 20 Ge 8i 4.63 .
19 Ge 8i 21 Ge 8i 7.44 .
19 Ge 8i 22 Ge 8i 2.93 .
19 Ge 8i 23 Ge 8i 7.49 .
19 Ge 8i 24 Ge 8i 4.59 .
19 Ge 8i 25 Ge 8i 4.66 .
19 Ge 8i 26 Ge 8i 2.98 .
19 Ge 8i 27 Ge 8i 2.98 .
19 Ge 8i 28 Ge 8i 2.74 .
19 Ge 8i 29 Ge 8i 4.46 .
19 Ge 8i 30 Ge 8i 5.52 .
19 Ge 8i 31 Ge 8i 4.85 .
19 Ge 8i 32 Ge 8i 6.32 .
20 Ge 8i 21 Ge 8i 2.93 .
20 Ge 8i 22 Ge 8i 7.49 .
20 Ge 8i 23 Ge 8i 4.59 .
20 Ge 8i 24 Ge 8i 7.44 .
20 Ge 8i 25 Ge 8i 2.74 .
20 Ge 8i 26 Ge 8i 4.66 .
20 Ge 8i 27 Ge 8i 2.98 .
20 Ge 8i 28 Ge 8i 2.98 .
20 Ge 8i 29 Ge 8i 5.52 .
20 Ge 8i 30 Ge 8i 4.85 .
20 Ge 8i 31 Ge 8i 6.32 .
20 Ge 8i 32 Ge 8i 4.46 .
21 Ge 8i 22 Ge 8i 4.63 .
21 Ge 8i 23 Ge 8i 2.88 .
21 Ge 8i 24 Ge 8i 4.63 .
21 Ge 8i 25 Ge 8i 4.85 .
21 Ge 8i 26 Ge 8i 6.32 .
21 Ge 8i 27 Ge 8i 4.46 .
21 Ge 8i 28 Ge 8i 5.52 .
21 Ge 8i 29 Ge 8i 2.98 .
21 Ge 8i 30 Ge 8i 2.74 .
21 Ge 8i 31 Ge 8i 4.66 .
21 Ge 8i 32 Ge 8i 2.98 .
22 Ge 8i 23 Ge 8i 4.63 .
22 Ge 8i 24 Ge 8i 2.88 .
22 Ge 8i 25 Ge 8i 6.32 .
22 Ge 8i 26 Ge 8i 4.46 .
22 Ge 8i 27 Ge 8i 5.52 .
22 Ge 8i 28 Ge 8i 4.85 .
22 Ge 8i 29 Ge 8i 2.98 .
22 Ge 8i 30 Ge 8i 2.98 .
22 Ge 8i 31 Ge 8i 2.74 .
22 Ge 8i 32 Ge 8i 4.66 .
23 Ge 8i 24 Ge 8i 4.63 .
23 Ge 8i 25 Ge 8i 4.46 .
23 Ge 8i 26 Ge 8i 5.52 .
23 Ge 8i 27 Ge 8i 4.85 .
23 Ge 8i 28 Ge 8i 6.32 .
23 Ge 8i 29 Ge 8i 4.66 .
23 Ge 8i 30 Ge 8i 2.98 .
23 Ge 8i 31 Ge 8i 2.98 .
23 Ge 8i 32 Ge 8i 2.74 .
24 Ge 8i 25 Ge 8i 5.52 .
24 Ge 8i 26 Ge 8i 4.85 .
24 Ge 8i 27 Ge 8i 6.32 .
24 Ge 8i 28 Ge 8i 4.46 .
24 Ge 8i 29 Ge 8i 2.74 .
24 Ge 8i 30 Ge 8i 4.66 .
24 Ge 8i 31 Ge 8i 2.98 .
24 Ge 8i 32 Ge 8i 2.98 .
25 Ge 8i 26 Ge 8i 2.88 .
25 Ge 8i 27 Ge 8i 3.17 .
25 Ge 8i 28 Ge 8i 2.88 .
25 Ge 8i 29 Ge 8i 7.49 .
25 Ge 8i 30 Ge 8i 6.26 .
25 Ge 8i 31 Ge 8i 7.42 .
25 Ge 8i 32 Ge 8i 5.46 .
26 Ge 8i 27 Ge 8i 2.88 .
26 Ge 8i 28 Ge 8i 3.17 .
26 Ge 8i 29 Ge 8i 6.26 .
26 Ge 8i 30 Ge 8i 7.42 .
26 Ge 8i 31 Ge 8i 5.46 .
26 Ge 8i 32 Ge 8i 7.49 .
27 Ge 8i 28 Ge 8i 2.88 .
27 Ge 8i 29 Ge 8i 7.42 .
27 Ge 8i 30 Ge 8i 5.46 .
27 Ge 8i 31 Ge 8i 7.49 .
27 Ge 8i 32 Ge 8i 6.26 .
28 Ge 8i 29 Ge 8i 5.46 .
28 Ge 8i 30 Ge 8i 7.49 .
28 Ge 8i 31 Ge 8i 6.26 .
28 Ge 8i 32 Ge 8i 7.42 .
29 Ge 8i 30 Ge 8i 2.88 .
29 Ge 8i 31 Ge 8i 3.17 .
29 Ge 8i 32 Ge 8i 2.88 .
30 Ge 8i 31 Ge 8i 2.88 .
30 Ge 8i 32 Ge 8i 3.17 .
31 Ge 8i 32 Ge 8i 2.88 .
Jij: magnetic exchange parameter between site i and j (Individual Jij values are temporarily not available while we perform maintenance.)
Export data (under construction)
  • csv
  • json
  • yaml
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-1094148
You can download and use the data of this database for your scientific work, provided that you express proper acknowledgements: