Material:

Cr5Ge3

ID:

MMD-3716

Explore database:

Compounds with the same formula: Cr5Ge3 (1 entry found)
Compounds with the same elements: Cr-Ge (3 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

140

Hermann-Mauguin

I4/mcm

Hall

-I 4 2c

Point group

4/mmm

Structure data:

Normalized formula

Cr5Ge3

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

4

Structure search

MP

Lattice parameters:

a (Å)

9.3213

b (Å)

9.3213

c (Å)

4.7167

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

409.818

Density (g/cm3)

7.746

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

13.8 meV/atom

Formation energy above hull

114.5 meV/atom

Phase diagram:

Phase diagram

Related structures:

Compounds with the same formula: Cr5Ge3

1 entry found

Compounds with the same elements: Cr-Ge

3 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

0.24 μB/cell

Averaged magnetic moment

0.01 μB/atom

Magnetic polarization, Js = μ0Ms

0.01 T (= 8.0 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 Cr 16k 0.421790 0.264905 0.000000 -0.01 . .
2 Cr 16k 0.764905 0.078210 0.500000 -0.06 . .
3 Cr 16k 0.578210 0.735095 0.000000 -0.13 . .
4 Cr 16k 0.500000 0.000000 0.750000 0.00 . .
5 Cr 16k 0.578210 0.264905 0.500000 0.06 . .
6 Cr 16k 0.235095 0.078210 0.000000 0.03 . .
7 Cr 16k 0.235095 0.921790 0.500000 -0.04 . .
8 Cr 16k 0.421790 0.735095 0.500000 0.13 . .
9 Cr 16k 0.764905 0.921790 0.000000 0.12 . .
10 Cr 16k 0.500000 0.000000 0.250000 0.00 . .
11 Cr 16k 0.921790 0.764905 0.500000 -0.12 . .
12 Cr 16k 0.264905 0.578210 0.000000 -0.02 . .
13 Cr 16k 0.078210 0.235095 0.500000 -0.02 . .
14 Cr 16k 0.000000 0.500000 0.250000 0.01 . .
15 Cr 16k 0.078210 0.764905 0.000000 0.12 . .
16 Cr 16k 0.735095 0.578210 0.500000 0.12 . .
17 Cr 4b 0.735095 0.421790 0.000000 -0.06 . .
18 Cr 4b 0.921790 0.235095 0.000000 0.07 . .
19 Cr 4b 0.264905 0.421790 0.500000 0.03 . .
20 Cr 4b 0.000000 0.500000 0.750000 0.01 . .
21 Ge 8h 0.333390 0.166610 0.500000 -0.00 . .
22 Ge 8h 0.000000 0.000000 0.250000 -0.00 . .
23 Ge 8h 0.000000 0.000000 0.750000 -0.00 . .
24 Ge 8h 0.333390 0.833390 0.000000 -0.00 . .
25 Ge 8h 0.666667 0.166610 0.000000 -0.00 . .
26 Ge 8h 0.666667 0.833390 0.500000 -0.00 . .
27 Ge 8h 0.833390 0.666667 0.000000 -0.00 . .
28 Ge 8h 0.500000 0.500000 0.750000 -0.00 . .
29 Ge 4a 0.500000 0.500000 0.250000 -0.00 . .
30 Ge 4a 0.833390 0.333390 0.500000 -0.00 . .
31 Ge 4a 0.166610 0.666667 0.500000 -0.00 . .
32 Ge 4a 0.166610 0.333390 0.000000 -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 Cr 16k 2 Cr 16k 4.34 .
1 Cr 16k 3 Cr 16k 4.62 .
1 Cr 16k 4 Cr 16k 2.83 .
1 Cr 16k 5 Cr 16k 2.77 .
1 Cr 16k 6 Cr 16k 2.46 .
1 Cr 16k 7 Cr 16k 4.34 .
1 Cr 16k 8 Cr 16k 4.98 .
1 Cr 16k 9 Cr 16k 4.52 .
1 Cr 16k 10 Cr 16k 2.83 .
1 Cr 16k 11 Cr 16k 7.00 .
1 Cr 16k 12 Cr 16k 3.27 .
1 Cr 16k 13 Cr 16k 3.99 .
1 Cr 16k 14 Cr 16k 4.65 .
1 Cr 16k 15 Cr 16k 5.65 .
1 Cr 16k 16 Cr 16k 4.76 .
1 Cr 16k 17 Cr 4b 3.27 .
1 Cr 16k 18 Cr 4b 4.67 .
1 Cr 16k 19 Cr 4b 3.14 .
1 Cr 16k 20 Cr 4b 4.65 .
1 Cr 16k 21 Ge 8h 2.66 .
1 Cr 16k 22 Ge 8h 4.79 .
1 Cr 16k 23 Ge 8h 4.79 .
1 Cr 16k 24 Ge 8h 4.11 .
1 Cr 16k 25 Ge 8h 2.46 .
1 Cr 16k 26 Ge 8h 5.19 .
1 Cr 16k 27 Ge 8h 5.36 .
1 Cr 16k 28 Ge 8h 2.59 .
1 Cr 16k 29 Ge 4a 2.59 .
1 Cr 16k 30 Ge 4a 4.55 .
1 Cr 16k 31 Ge 4a 5.02 .
1 Cr 16k 32 Ge 4a 2.46 .
2 Cr 16k 3 Cr 16k 4.34 .
2 Cr 16k 4 Cr 16k 2.83 .
2 Cr 16k 5 Cr 16k 2.46 .
2 Cr 16k 6 Cr 16k 4.98 .
2 Cr 16k 7 Cr 16k 4.62 .
2 Cr 16k 8 Cr 16k 4.52 .
2 Cr 16k 9 Cr 16k 2.77 .
2 Cr 16k 10 Cr 16k 2.83 .
2 Cr 16k 11 Cr 16k 3.27 .
2 Cr 16k 12 Cr 16k 7.00 .
2 Cr 16k 13 Cr 16k 3.27 .
2 Cr 16k 14 Cr 16k 4.65 .
2 Cr 16k 15 Cr 16k 4.76 .
2 Cr 16k 16 Cr 16k 4.67 .
2 Cr 16k 17 Cr 4b 3.99 .
2 Cr 16k 18 Cr 4b 3.14 .
2 Cr 16k 19 Cr 4b 5.65 .
2 Cr 16k 20 Cr 4b 4.65 .
2 Cr 16k 21 Ge 8h 4.11 .
2 Cr 16k 22 Ge 8h 2.59 .
2 Cr 16k 23 Ge 8h 2.59 .
2 Cr 16k 24 Ge 8h 5.19 .
2 Cr 16k 25 Ge 8h 2.66 .
2 Cr 16k 26 Ge 8h 2.46 .
2 Cr 16k 27 Ge 8h 4.55 .
2 Cr 16k 28 Ge 8h 4.79 .
2 Cr 16k 29 Ge 4a 4.79 .
2 Cr 16k 30 Ge 4a 2.46 .
2 Cr 16k 31 Ge 4a 5.36 .
2 Cr 16k 32 Ge 4a 5.02 .
3 Cr 16k 4 Cr 16k 2.83 .
3 Cr 16k 5 Cr 16k 4.98 .
3 Cr 16k 6 Cr 16k 4.52 .
3 Cr 16k 7 Cr 16k 4.34 .
3 Cr 16k 8 Cr 16k 2.77 .
3 Cr 16k 9 Cr 16k 2.46 .
3 Cr 16k 10 Cr 16k 2.83 .
3 Cr 16k 11 Cr 16k 3.99 .
3 Cr 16k 12 Cr 16k 3.27 .
3 Cr 16k 13 Cr 16k 7.00 .
3 Cr 16k 14 Cr 16k 4.65 .
3 Cr 16k 15 Cr 16k 4.67 .
3 Cr 16k 16 Cr 16k 3.14 .
3 Cr 16k 17 Cr 4b 3.27 .
3 Cr 16k 18 Cr 4b 5.65 .
3 Cr 16k 19 Cr 4b 4.76 .
3 Cr 16k 20 Cr 4b 4.65 .
3 Cr 16k 21 Ge 8h 5.19 .
3 Cr 16k 22 Ge 8h 4.79 .
3 Cr 16k 23 Ge 8h 4.79 .
3 Cr 16k 24 Ge 8h 2.46 .
3 Cr 16k 25 Ge 8h 4.11 .
3 Cr 16k 26 Ge 8h 2.66 .
3 Cr 16k 27 Ge 8h 2.46 .
3 Cr 16k 28 Ge 8h 2.59 .
3 Cr 16k 29 Ge 4a 2.59 .
3 Cr 16k 30 Ge 4a 5.02 .
3 Cr 16k 31 Ge 4a 4.55 .
3 Cr 16k 32 Ge 4a 5.36 .
4 Cr 16k 5 Cr 16k 2.83 .
4 Cr 16k 6 Cr 16k 2.83 .
4 Cr 16k 7 Cr 16k 2.83 .
4 Cr 16k 8 Cr 16k 2.83 .
4 Cr 16k 9 Cr 16k 2.83 .
4 Cr 16k 10 Cr 16k 2.36 .
4 Cr 16k 11 Cr 16k 4.65 .
4 Cr 16k 12 Cr 16k 4.65 .
4 Cr 16k 13 Cr 16k 4.65 .
4 Cr 16k 14 Cr 16k 7.00 .
4 Cr 16k 15 Cr 16k 4.65 .
4 Cr 16k 16 Cr 16k 4.65 .
4 Cr 16k 17 Cr 4b 4.65 .
4 Cr 16k 18 Cr 4b 4.65 .
4 Cr 16k 19 Cr 4b 4.65 .
4 Cr 16k 20 Cr 4b 6.59 .
4 Cr 16k 21 Ge 8h 2.49 .
4 Cr 16k 22 Ge 8h 5.22 .
4 Cr 16k 23 Ge 8h 4.66 .
4 Cr 16k 24 Ge 8h 2.49 .
4 Cr 16k 25 Ge 8h 2.49 .
4 Cr 16k 26 Ge 8h 2.49 .
4 Cr 16k 27 Ge 8h 4.55 .
4 Cr 16k 28 Ge 8h 4.66 .
4 Cr 16k 29 Ge 4a 5.22 .
4 Cr 16k 30 Ge 4a 4.55 .
4 Cr 16k 31 Ge 4a 4.55 .
4 Cr 16k 32 Ge 4a 4.55 .
5 Cr 16k 6 Cr 16k 4.34 .
5 Cr 16k 7 Cr 16k 4.52 .
5 Cr 16k 8 Cr 16k 4.62 .
5 Cr 16k 9 Cr 16k 4.34 .
5 Cr 16k 10 Cr 16k 2.83 .
5 Cr 16k 11 Cr 16k 5.65 .
5 Cr 16k 12 Cr 16k 4.76 .
5 Cr 16k 13 Cr 16k 4.67 .
5 Cr 16k 14 Cr 16k 4.65 .
5 Cr 16k 15 Cr 16k 7.00 .
5 Cr 16k 16 Cr 16k 3.27 .
5 Cr 16k 17 Cr 4b 3.14 .
5 Cr 16k 18 Cr 4b 3.99 .
5 Cr 16k 19 Cr 4b 3.27 .
5 Cr 16k 20 Cr 4b 4.65 .
5 Cr 16k 21 Ge 8h 2.46 .
5 Cr 16k 22 Ge 8h 4.79 .
5 Cr 16k 23 Ge 8h 4.79 .
5 Cr 16k 24 Ge 8h 5.19 .
5 Cr 16k 25 Ge 8h 2.66 .
5 Cr 16k 26 Ge 8h 4.11 .
5 Cr 16k 27 Ge 8h 5.02 .
5 Cr 16k 28 Ge 8h 2.59 .
5 Cr 16k 29 Ge 4a 2.59 .
5 Cr 16k 30 Ge 4a 2.46 .
5 Cr 16k 31 Ge 4a 5.36 .
5 Cr 16k 32 Ge 4a 4.55 .
6 Cr 16k 7 Cr 16k 2.77 .
6 Cr 16k 8 Cr 16k 4.34 .
6 Cr 16k 9 Cr 16k 4.62 .
6 Cr 16k 10 Cr 16k 2.83 .
6 Cr 16k 11 Cr 16k 4.76 .
6 Cr 16k 12 Cr 16k 4.67 .
6 Cr 16k 13 Cr 16k 3.14 .
6 Cr 16k 14 Cr 16k 4.65 .
6 Cr 16k 15 Cr 16k 3.27 .
6 Cr 16k 16 Cr 16k 7.00 .
6 Cr 16k 17 Cr 4b 5.65 .
6 Cr 16k 18 Cr 4b 3.27 .
6 Cr 16k 19 Cr 4b 3.99 .
6 Cr 16k 20 Cr 4b 4.65 .
6 Cr 16k 21 Ge 8h 2.66 .
6 Cr 16k 22 Ge 8h 2.59 .
6 Cr 16k 23 Ge 8h 2.59 .
6 Cr 16k 24 Ge 8h 2.46 .
6 Cr 16k 25 Ge 8h 4.11 .
6 Cr 16k 26 Ge 8h 5.19 .
6 Cr 16k 27 Ge 8h 5.36 .
6 Cr 16k 28 Ge 8h 4.79 .
6 Cr 16k 29 Ge 4a 4.79 .
6 Cr 16k 30 Ge 4a 5.02 .
6 Cr 16k 31 Ge 4a 4.55 .
6 Cr 16k 32 Ge 4a 2.46 .
7 Cr 16k 8 Cr 16k 2.46 .
7 Cr 16k 9 Cr 16k 4.98 .
7 Cr 16k 10 Cr 16k 2.83 .
7 Cr 16k 11 Cr 16k 3.27 .
7 Cr 16k 12 Cr 16k 3.99 .
7 Cr 16k 13 Cr 16k 3.27 .
7 Cr 16k 14 Cr 16k 4.65 .
7 Cr 16k 15 Cr 16k 3.14 .
7 Cr 16k 16 Cr 16k 5.65 .
7 Cr 16k 17 Cr 4b 7.00 .
7 Cr 16k 18 Cr 4b 4.76 .
7 Cr 16k 19 Cr 4b 4.67 .
7 Cr 16k 20 Cr 4b 4.65 .
7 Cr 16k 21 Ge 8h 2.46 .
7 Cr 16k 22 Ge 8h 2.59 .
7 Cr 16k 23 Ge 8h 2.59 .
7 Cr 16k 24 Ge 8h 2.66 .
7 Cr 16k 25 Ge 8h 5.19 .
7 Cr 16k 26 Ge 8h 4.11 .
7 Cr 16k 27 Ge 8h 5.02 .
7 Cr 16k 28 Ge 8h 4.79 .
7 Cr 16k 29 Ge 4a 4.79 .
7 Cr 16k 30 Ge 4a 5.36 .
7 Cr 16k 31 Ge 4a 2.46 .
7 Cr 16k 32 Ge 4a 4.55 .
8 Cr 16k 9 Cr 16k 4.34 .
8 Cr 16k 10 Cr 16k 2.83 .
8 Cr 16k 11 Cr 16k 4.67 .
8 Cr 16k 12 Cr 16k 3.14 .
8 Cr 16k 13 Cr 16k 5.65 .
8 Cr 16k 14 Cr 16k 4.65 .
8 Cr 16k 15 Cr 16k 3.99 .
8 Cr 16k 16 Cr 16k 3.27 .
8 Cr 16k 17 Cr 4b 4.76 .
8 Cr 16k 18 Cr 4b 7.00 .
8 Cr 16k 19 Cr 4b 3.27 .
8 Cr 16k 20 Cr 4b 4.65 .
8 Cr 16k 21 Ge 8h 4.11 .
8 Cr 16k 22 Ge 8h 4.79 .
8 Cr 16k 23 Ge 8h 4.79 .
8 Cr 16k 24 Ge 8h 2.66 .
8 Cr 16k 25 Ge 8h 5.19 .
8 Cr 16k 26 Ge 8h 2.46 .
8 Cr 16k 27 Ge 8h 4.55 .
8 Cr 16k 28 Ge 8h 2.59 .
8 Cr 16k 29 Ge 4a 2.59 .
8 Cr 16k 30 Ge 4a 5.36 .
8 Cr 16k 31 Ge 4a 2.46 .
8 Cr 16k 32 Ge 4a 5.02 .
9 Cr 16k 10 Cr 16k 2.83 .
9 Cr 16k 11 Cr 16k 3.14 .
9 Cr 16k 12 Cr 16k 5.65 .
9 Cr 16k 13 Cr 16k 4.76 .
9 Cr 16k 14 Cr 16k 4.65 .
9 Cr 16k 15 Cr 16k 3.27 .
9 Cr 16k 16 Cr 16k 3.99 .
9 Cr 16k 17 Cr 4b 4.67 .
9 Cr 16k 18 Cr 4b 3.27 .
9 Cr 16k 19 Cr 4b 7.00 .
9 Cr 16k 20 Cr 4b 4.65 .
9 Cr 16k 21 Ge 8h 5.19 .
9 Cr 16k 22 Ge 8h 2.59 .
9 Cr 16k 23 Ge 8h 2.59 .
9 Cr 16k 24 Ge 8h 4.11 .
9 Cr 16k 25 Ge 8h 2.46 .
9 Cr 16k 26 Ge 8h 2.66 .
9 Cr 16k 27 Ge 8h 2.46 .
9 Cr 16k 28 Ge 8h 4.79 .
9 Cr 16k 29 Ge 4a 4.79 .
9 Cr 16k 30 Ge 4a 4.55 .
9 Cr 16k 31 Ge 4a 5.02 .
9 Cr 16k 32 Ge 4a 5.36 .
10 Cr 16k 11 Cr 16k 4.65 .
10 Cr 16k 12 Cr 16k 4.65 .
10 Cr 16k 13 Cr 16k 4.65 .
10 Cr 16k 14 Cr 16k 6.59 .
10 Cr 16k 15 Cr 16k 4.65 .
10 Cr 16k 16 Cr 16k 4.65 .
10 Cr 16k 17 Cr 4b 4.65 .
10 Cr 16k 18 Cr 4b 4.65 .
10 Cr 16k 19 Cr 4b 4.65 .
10 Cr 16k 20 Cr 4b 7.00 .
10 Cr 16k 21 Ge 8h 2.49 .
10 Cr 16k 22 Ge 8h 4.66 .
10 Cr 16k 23 Ge 8h 5.22 .
10 Cr 16k 24 Ge 8h 2.49 .
10 Cr 16k 25 Ge 8h 2.49 .
10 Cr 16k 26 Ge 8h 2.49 .
10 Cr 16k 27 Ge 8h 4.55 .
10 Cr 16k 28 Ge 8h 5.22 .
10 Cr 16k 29 Ge 4a 4.66 .
10 Cr 16k 30 Ge 4a 4.55 .
10 Cr 16k 31 Ge 4a 4.55 .
10 Cr 16k 32 Ge 4a 4.55 .
11 Cr 16k 12 Cr 16k 4.34 .
11 Cr 16k 13 Cr 16k 4.62 .
11 Cr 16k 14 Cr 16k 2.83 .
11 Cr 16k 15 Cr 16k 2.77 .
11 Cr 16k 16 Cr 16k 2.46 .
11 Cr 16k 17 Cr 4b 4.34 .
11 Cr 16k 18 Cr 4b 4.98 .
11 Cr 16k 19 Cr 4b 4.52 .
11 Cr 16k 20 Cr 4b 2.83 .
11 Cr 16k 21 Ge 8h 5.36 .
11 Cr 16k 22 Ge 8h 2.59 .
11 Cr 16k 23 Ge 8h 2.59 .
11 Cr 16k 24 Ge 8h 4.55 .
11 Cr 16k 25 Ge 8h 5.02 .
11 Cr 16k 26 Ge 8h 2.46 .
11 Cr 16k 27 Ge 8h 2.66 .
11 Cr 16k 28 Ge 8h 4.79 .
11 Cr 16k 29 Ge 4a 4.79 .
11 Cr 16k 30 Ge 4a 4.11 .
11 Cr 16k 31 Ge 4a 2.46 .
11 Cr 16k 32 Ge 4a 5.19 .
12 Cr 16k 13 Cr 16k 4.34 .
12 Cr 16k 14 Cr 16k 2.83 .
12 Cr 16k 15 Cr 16k 2.46 .
12 Cr 16k 16 Cr 16k 4.98 .
12 Cr 16k 17 Cr 4b 4.62 .
12 Cr 16k 18 Cr 4b 4.52 .
12 Cr 16k 19 Cr 4b 2.77 .
12 Cr 16k 20 Cr 4b 2.83 .
12 Cr 16k 21 Ge 8h 4.55 .
12 Cr 16k 22 Ge 8h 4.79 .
12 Cr 16k 23 Ge 8h 4.79 .
12 Cr 16k 24 Ge 8h 2.46 .
12 Cr 16k 25 Ge 8h 5.36 .
12 Cr 16k 26 Ge 8h 5.02 .
12 Cr 16k 27 Ge 8h 4.11 .
12 Cr 16k 28 Ge 8h 2.59 .
12 Cr 16k 29 Ge 4a 2.59 .
12 Cr 16k 30 Ge 4a 5.19 .
12 Cr 16k 31 Ge 4a 2.66 .
12 Cr 16k 32 Ge 4a 2.46 .
13 Cr 16k 14 Cr 16k 2.83 .
13 Cr 16k 15 Cr 16k 4.98 .
13 Cr 16k 16 Cr 16k 4.52 .
13 Cr 16k 17 Cr 4b 4.34 .
13 Cr 16k 18 Cr 4b 2.77 .
13 Cr 16k 19 Cr 4b 2.46 .
13 Cr 16k 20 Cr 4b 2.83 .
13 Cr 16k 21 Ge 8h 2.46 .
13 Cr 16k 22 Ge 8h 2.59 .
13 Cr 16k 23 Ge 8h 2.59 .
13 Cr 16k 24 Ge 8h 5.02 .
13 Cr 16k 25 Ge 8h 4.55 .
13 Cr 16k 26 Ge 8h 5.36 .
13 Cr 16k 27 Ge 8h 5.19 .
13 Cr 16k 28 Ge 8h 4.79 .
13 Cr 16k 29 Ge 4a 4.79 .
13 Cr 16k 30 Ge 4a 2.46 .
13 Cr 16k 31 Ge 4a 4.11 .
13 Cr 16k 32 Ge 4a 2.66 .
14 Cr 16k 15 Cr 16k 2.83 .
14 Cr 16k 16 Cr 16k 2.83 .
14 Cr 16k 17 Cr 4b 2.83 .
14 Cr 16k 18 Cr 4b 2.83 .
14 Cr 16k 19 Cr 4b 2.83 .
14 Cr 16k 20 Cr 4b 2.36 .
14 Cr 16k 21 Ge 8h 4.55 .
14 Cr 16k 22 Ge 8h 4.66 .
14 Cr 16k 23 Ge 8h 5.22 .
14 Cr 16k 24 Ge 8h 4.55 .
14 Cr 16k 25 Ge 8h 4.55 .
14 Cr 16k 26 Ge 8h 4.55 .
14 Cr 16k 27 Ge 8h 2.49 .
14 Cr 16k 28 Ge 8h 5.22 .
14 Cr 16k 29 Ge 4a 4.66 .
14 Cr 16k 30 Ge 4a 2.49 .
14 Cr 16k 31 Ge 4a 2.49 .
14 Cr 16k 32 Ge 4a 2.49 .
15 Cr 16k 16 Cr 16k 4.34 .
15 Cr 16k 17 Cr 4b 4.52 .
15 Cr 16k 18 Cr 4b 4.62 .
15 Cr 16k 19 Cr 4b 4.34 .
15 Cr 16k 20 Cr 4b 2.83 .
15 Cr 16k 21 Ge 8h 5.02 .
15 Cr 16k 22 Ge 8h 2.59 .
15 Cr 16k 23 Ge 8h 2.59 .
15 Cr 16k 24 Ge 8h 2.46 .
15 Cr 16k 25 Ge 8h 5.36 .
15 Cr 16k 26 Ge 8h 4.55 .
15 Cr 16k 27 Ge 8h 2.46 .
15 Cr 16k 28 Ge 8h 4.79 .
15 Cr 16k 29 Ge 4a 4.79 .
15 Cr 16k 30 Ge 4a 5.19 .
15 Cr 16k 31 Ge 4a 2.66 .
15 Cr 16k 32 Ge 4a 4.11 .
16 Cr 16k 17 Cr 4b 2.77 .
16 Cr 16k 18 Cr 4b 4.34 .
16 Cr 16k 19 Cr 4b 4.62 .
16 Cr 16k 20 Cr 4b 2.83 .
16 Cr 16k 21 Ge 8h 5.36 .
16 Cr 16k 22 Ge 8h 4.79 .
16 Cr 16k 23 Ge 8h 4.79 .
16 Cr 16k 24 Ge 8h 5.02 .
16 Cr 16k 25 Ge 8h 4.55 .
16 Cr 16k 26 Ge 8h 2.46 .
16 Cr 16k 27 Ge 8h 2.66 .
16 Cr 16k 28 Ge 8h 2.59 .
16 Cr 16k 29 Ge 4a 2.59 .
16 Cr 16k 30 Ge 4a 2.46 .
16 Cr 16k 31 Ge 4a 4.11 .
16 Cr 16k 32 Ge 4a 5.19 .
17 Cr 4b 18 Cr 4b 2.46 .
17 Cr 4b 19 Cr 4b 4.98 .
17 Cr 4b 20 Cr 4b 2.83 .
17 Cr 4b 21 Ge 8h 5.02 .
17 Cr 4b 22 Ge 8h 4.79 .
17 Cr 4b 23 Ge 8h 4.79 .
17 Cr 4b 24 Ge 8h 5.36 .
17 Cr 4b 25 Ge 8h 2.46 .
17 Cr 4b 26 Ge 8h 4.55 .
17 Cr 4b 27 Ge 8h 2.46 .
17 Cr 4b 28 Ge 8h 2.59 .
17 Cr 4b 29 Ge 4a 2.59 .
17 Cr 4b 30 Ge 4a 2.66 .
17 Cr 4b 31 Ge 4a 5.19 .
17 Cr 4b 32 Ge 4a 4.11 .
18 Cr 4b 19 Cr 4b 4.34 .
18 Cr 4b 20 Cr 4b 2.83 .
18 Cr 4b 21 Ge 8h 4.55 .
18 Cr 4b 22 Ge 8h 2.59 .
18 Cr 4b 23 Ge 8h 2.59 .
18 Cr 4b 24 Ge 8h 5.36 .
18 Cr 4b 25 Ge 8h 2.46 .
18 Cr 4b 26 Ge 8h 5.02 .
18 Cr 4b 27 Ge 8h 4.11 .
18 Cr 4b 28 Ge 8h 4.79 .
18 Cr 4b 29 Ge 4a 4.79 .
18 Cr 4b 30 Ge 4a 2.66 .
18 Cr 4b 31 Ge 4a 5.19 .
18 Cr 4b 32 Ge 4a 2.46 .
19 Cr 4b 20 Cr 4b 2.83 .
19 Cr 4b 21 Ge 8h 2.46 .
19 Cr 4b 22 Ge 8h 4.79 .
19 Cr 4b 23 Ge 8h 4.79 .
19 Cr 4b 24 Ge 8h 4.55 .
19 Cr 4b 25 Ge 8h 5.02 .
19 Cr 4b 26 Ge 8h 5.36 .
19 Cr 4b 27 Ge 8h 5.19 .
19 Cr 4b 28 Ge 8h 2.59 .
19 Cr 4b 29 Ge 4a 2.59 .
19 Cr 4b 30 Ge 4a 4.11 .
19 Cr 4b 31 Ge 4a 2.46 .
19 Cr 4b 32 Ge 4a 2.66 .
20 Cr 4b 21 Ge 8h 4.55 .
20 Cr 4b 22 Ge 8h 5.22 .
20 Cr 4b 23 Ge 8h 4.66 .
20 Cr 4b 24 Ge 8h 4.55 .
20 Cr 4b 25 Ge 8h 4.55 .
20 Cr 4b 26 Ge 8h 4.55 .
20 Cr 4b 27 Ge 8h 2.49 .
20 Cr 4b 28 Ge 8h 4.66 .
20 Cr 4b 29 Ge 4a 5.22 .
20 Cr 4b 30 Ge 4a 2.49 .
20 Cr 4b 31 Ge 4a 2.49 .
20 Cr 4b 32 Ge 4a 2.49 .
21 Ge 8h 22 Ge 8h 3.67 .
21 Ge 8h 23 Ge 8h 3.67 .
21 Ge 8h 24 Ge 8h 3.90 .
21 Ge 8h 25 Ge 8h 3.90 .
21 Ge 8h 26 Ge 8h 4.39 .
21 Ge 8h 27 Ge 8h 7.00 .
21 Ge 8h 28 Ge 8h 3.67 .
21 Ge 8h 29 Ge 4a 3.67 .
21 Ge 8h 30 Ge 4a 4.91 .
21 Ge 8h 31 Ge 4a 4.91 .
21 Ge 8h 32 Ge 4a 3.22 .
22 Ge 8h 23 Ge 8h 2.36 .
22 Ge 8h 24 Ge 8h 3.67 .
22 Ge 8h 25 Ge 8h 3.67 .
22 Ge 8h 26 Ge 8h 3.67 .
22 Ge 8h 27 Ge 8h 3.67 .
22 Ge 8h 28 Ge 8h 7.00 .
22 Ge 8h 29 Ge 4a 6.59 .
22 Ge 8h 30 Ge 4a 3.67 .
22 Ge 8h 31 Ge 4a 3.67 .
22 Ge 8h 32 Ge 4a 3.67 .
23 Ge 8h 24 Ge 8h 3.67 .
23 Ge 8h 25 Ge 8h 3.67 .
23 Ge 8h 26 Ge 8h 3.67 .
23 Ge 8h 27 Ge 8h 3.67 .
23 Ge 8h 28 Ge 8h 6.59 .
23 Ge 8h 29 Ge 4a 7.00 .
23 Ge 8h 30 Ge 4a 3.67 .
23 Ge 8h 31 Ge 4a 3.67 .
23 Ge 8h 32 Ge 4a 3.67 .
24 Ge 8h 25 Ge 8h 4.39 .
24 Ge 8h 26 Ge 8h 3.90 .
24 Ge 8h 27 Ge 8h 4.91 .
24 Ge 8h 28 Ge 8h 3.67 .
24 Ge 8h 29 Ge 4a 3.67 .
24 Ge 8h 30 Ge 4a 7.00 .
24 Ge 8h 31 Ge 4a 3.22 .
24 Ge 8h 32 Ge 4a 4.91 .
25 Ge 8h 26 Ge 8h 3.90 .
25 Ge 8h 27 Ge 8h 4.91 .
25 Ge 8h 28 Ge 8h 3.67 .
25 Ge 8h 29 Ge 4a 3.67 .
25 Ge 8h 30 Ge 4a 3.22 .
25 Ge 8h 31 Ge 4a 7.00 .
25 Ge 8h 32 Ge 4a 4.91 .
26 Ge 8h 27 Ge 8h 3.22 .
26 Ge 8h 28 Ge 8h 3.67 .
26 Ge 8h 29 Ge 4a 3.67 .
26 Ge 8h 30 Ge 4a 4.91 .
26 Ge 8h 31 Ge 4a 4.91 .
26 Ge 8h 32 Ge 4a 7.00 .
27 Ge 8h 28 Ge 8h 3.67 .
27 Ge 8h 29 Ge 4a 3.67 .
27 Ge 8h 30 Ge 4a 3.90 .
27 Ge 8h 31 Ge 4a 3.90 .
27 Ge 8h 32 Ge 4a 4.39 .
28 Ge 8h 29 Ge 4a 2.36 .
28 Ge 8h 30 Ge 4a 3.67 .
28 Ge 8h 31 Ge 4a 3.67 .
28 Ge 8h 32 Ge 4a 3.67 .
29 Ge 4a 30 Ge 4a 3.67 .
29 Ge 4a 31 Ge 4a 3.67 .
29 Ge 4a 32 Ge 4a 3.67 .
30 Ge 4a 31 Ge 4a 4.39 .
30 Ge 4a 32 Ge 4a 3.90 .
31 Ge 4a 32 Ge 4a 3.90 .
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-568324
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