NovoMag Database

Material:

Co₄Ge

ID:

MMD-805

Explore database:

Compounds with the same formula: Co₄Ge (8 entries found)

Compounds with the same elements: Co-Ge (27 entries found)

Space group:

Crystal system	monoclinic
Space group number	10
Hermann-Mauguin	P2/m
Hall	-P 2y
Point group	2/m

Structure data:

Normalized formula	Co₄Ge
The number of formula units per unit cell	4
The total number of atoms per unit cell	20
The number of inequivalent sites per unit cell	12
Structure search	AGA search

Lattice parameters:

a (Å)	8.0010
b (Å)	3.5830
c (Å)	7.8500
α (deg.)	90.000
β (deg.)	88.560
γ (deg.)	90.000
Volume (Å³)	224.969
Density (g/cm³)	9.105

Crystal structure visualization:

Thermodynamic properties:

	DFT calculations (details)
Formation energy (vs. elemental phases)	-43.3 meV/atom
Formation energy above hull	37.2 meV/atom

Phase diagram:

Related structures:

Compounds with the same formula: Co₄Ge	8 entries found
Compounds with the same elements: Co-Ge	27 entries found

Magnetic properties:

	DFT calculations (details)
Magnetic ordering	Ferromagnetic
Total magnetic moment	19.84 μ_B/cell
Averaged magnetic moment	0.99 μ_B/atom
Magnetic polarization, J_s = μ₀M_s	1.03 T (= 819.6 emu/cm³)

	LMTO-GF calculations (details)
Curie temperature, T_C

	DFT calculations (details)
Magnetic anisotropy constant, K^a-c	-0.27 MJ/m³ (= -0.38 meV/cell)
Magnetic anisotropy constant, K^b-c	-0.45 MJ/m³ (= -0.62 meV/cell)
Magnetic anisotropy constant, K^b-a	-0.17 MJ/m³ (= -0.24 meV/cell)
Magnetic easy axis	b
Magnetic hardness parameter, κ	0.57

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

index	species	w	x	y	z	m (μ_B)	E^soc₁₀₀ (meV)	E^soc₀₀₁ (meV)
1	Co	2m	0.903360	0.000000	0.195300	1.07	.	.
2	Co	2m	0.096640	0.000000	0.804700	1.07	.	.
3	Co	2m	0.210850	0.000000	0.105760	1.69	.	.
4	Co	2m	0.789150	0.000000	0.894240	1.69	.	.
5	Co	2m	0.298900	0.000000	0.397700	1.22	.	.
6	Co	2m	0.701100	0.000000	0.602300	1.22	.	.
7	Co	2n	0.396190	0.500000	0.197290	1.53	.	.
8	Co	2n	0.603810	0.500000	0.802710	1.53	.	.
9	Co	2n	0.698460	0.500000	0.096300	1.26	.	.
10	Co	2n	0.301540	0.500000	0.903700	1.26	.	.
11	Co	2n	0.103560	0.500000	0.300410	1.19	.	.
12	Co	2n	0.896440	0.500000	0.699590	1.19	.	.
13	Co	2n	0.199570	0.500000	0.601480	1.24	.	.
14	Co	2n	0.800430	0.500000	0.398520	1.24	.	.
15	Co	1c	0.500000	0.000000	0.000000	1.35	.	.
16	Co	1h	0.500000	0.500000	0.500000	1.06	.	.
17	Ge	2m	0.398560	0.000000	0.700670	-0.05	.	.
18	Ge	2m	0.601440	0.000000	0.299330	-0.05	.	.
19	Ge	1b	0.000000	0.500000	0.000000	-0.04	.	.
20	Ge	1d	-0.000000	0.000000	0.500000	-0.05	.	.

w: site multiplicity (the number of equivalent positions) and Wyckoff letter (a label for site symmetry)
m: local magnetic moment
E^soc_{100 (001)}: Spin-orbit coupling energy for the magnetization oriented along the crystallographic a (c) axis
(Individual E^soc values are temporarily not available while we perform maintenance.)

Terms and conditions

Site-resolved magnetic moments:

Pair-wise magnetic data:

site i			site j			distance (Å)	J_ij (meV)
1	Co	2m	2	Co	2m	3.40	.
1	Co	2m	3	Co	2m	2.54	.
1	Co	2m	4	Co	2m	2.56	.
1	Co	2m	5	Co	2m	3.58	.
1	Co	2m	6	Co	2m	3.54	.
1	Co	2m	7	Co	2n	4.33	.
1	Co	2m	8	Co	2n	4.34	.
1	Co	2m	9	Co	2n	2.56	.
1	Co	2m	10	Co	2n	4.27	.
1	Co	2m	11	Co	2n	2.55	.
1	Co	2m	12	Co	2n	4.29	.
1	Co	2m	13	Co	2n	4.40	.
1	Co	2m	14	Co	2n	2.52	.
1	Co	2m	15	Co	1c	3.61	.
1	Co	2m	16	Co	1h	4.35	.
1	Co	2m	17	Ge	2m	5.48	.
1	Co	2m	18	Ge	2m	2.53	.
1	Co	2m	19	Ge	1b	2.47	.
1	Co	2m	20	Ge	1d	2.53	.
2	Co	2m	3	Co	2m	2.56	.
2	Co	2m	4	Co	2m	2.54	.
2	Co	2m	5	Co	2m	3.54	.
2	Co	2m	6	Co	2m	3.58	.
2	Co	2m	7	Co	2n	4.34	.
2	Co	2m	8	Co	2n	4.33	.
2	Co	2m	9	Co	2n	4.27	.
2	Co	2m	10	Co	2n	2.56	.
2	Co	2m	11	Co	2n	4.29	.
2	Co	2m	12	Co	2n	2.55	.
2	Co	2m	13	Co	2n	2.52	.
2	Co	2m	14	Co	2n	4.40	.
2	Co	2m	15	Co	1c	3.61	.
2	Co	2m	16	Co	1h	4.35	.
2	Co	2m	17	Ge	2m	2.53	.
2	Co	2m	18	Ge	2m	5.48	.
2	Co	2m	19	Ge	1b	2.47	.
2	Co	2m	20	Ge	1d	2.53	.
3	Co	2m	4	Co	2m	3.80	.
3	Co	2m	5	Co	2m	2.41	.
3	Co	2m	6	Co	2m	5.50	.
3	Co	2m	7	Co	2n	2.45	.
3	Co	2m	8	Co	2n	4.29	.
3	Co	2m	9	Co	2n	4.29	.
3	Co	2m	10	Co	2n	2.49	.
3	Co	2m	11	Co	2n	2.49	.
3	Co	2m	12	Co	2n	4.48	.
3	Co	2m	13	Co	2n	4.28	.
3	Co	2m	14	Co	2n	4.35	.
3	Co	2m	15	Co	1c	2.44	.
3	Co	2m	16	Co	1h	4.30	.
3	Co	2m	17	Ge	2m	3.48	.
3	Co	2m	18	Ge	2m	3.51	.
3	Co	2m	19	Ge	1b	2.61	.
3	Co	2m	20	Ge	1d	3.49	.
4	Co	2m	5	Co	2m	5.50	.
4	Co	2m	6	Co	2m	2.41	.
4	Co	2m	7	Co	2n	4.29	.
4	Co	2m	8	Co	2n	2.45	.
4	Co	2m	9	Co	2n	2.49	.
4	Co	2m	10	Co	2n	4.29	.
4	Co	2m	11	Co	2n	4.48	.
4	Co	2m	12	Co	2n	2.49	.
4	Co	2m	13	Co	2n	4.35	.
4	Co	2m	14	Co	2n	4.28	.
4	Co	2m	15	Co	1c	2.44	.
4	Co	2m	16	Co	1h	4.30	.
4	Co	2m	17	Ge	2m	3.51	.
4	Co	2m	18	Ge	2m	3.48	.
4	Co	2m	19	Ge	1b	2.61	.
4	Co	2m	20	Ge	1d	3.49	.
5	Co	2m	6	Co	2m	3.63	.
5	Co	2m	7	Co	2n	2.50	.
5	Co	2m	8	Co	2n	4.43	.
5	Co	2m	9	Co	2n	4.32	.
5	Co	2m	10	Co	2n	4.27	.
5	Co	2m	11	Co	2n	2.51	.
5	Co	2m	12	Co	2n	4.34	.
5	Co	2m	13	Co	2n	2.52	.
5	Co	2m	14	Co	2n	4.37	.
5	Co	2m	15	Co	1c	3.48	.
5	Co	2m	16	Co	1h	2.55	.
5	Co	2m	17	Ge	2m	2.53	.
5	Co	2m	18	Ge	2m	2.52	.
5	Co	2m	19	Ge	1b	4.36	.
5	Co	2m	20	Ge	1d	2.50	.
6	Co	2m	7	Co	2n	4.43	.
6	Co	2m	8	Co	2n	2.50	.
6	Co	2m	9	Co	2n	4.27	.
6	Co	2m	10	Co	2n	4.32	.
6	Co	2m	11	Co	2n	4.34	.
6	Co	2m	12	Co	2n	2.51	.
6	Co	2m	13	Co	2n	4.37	.
6	Co	2m	14	Co	2n	2.52	.
6	Co	2m	15	Co	1c	3.48	.
6	Co	2m	16	Co	1h	2.55	.
6	Co	2m	17	Ge	2m	2.52	.
6	Co	2m	18	Ge	2m	2.53	.
6	Co	2m	19	Ge	1b	4.36	.
6	Co	2m	20	Ge	1d	2.50	.
7	Co	2n	8	Co	2n	3.48	.
7	Co	2n	9	Co	2n	2.53	.
7	Co	2n	10	Co	2n	2.44	.
7	Co	2n	11	Co	2n	2.46	.
7	Co	2n	12	Co	2n	5.52	.
7	Co	2n	13	Co	2n	3.51	.
7	Co	2n	14	Co	2n	3.63	.
7	Co	2n	15	Co	1c	2.50	.
7	Co	2n	16	Co	1h	2.54	.
7	Co	2n	17	Ge	2m	4.29	.
7	Co	2n	18	Ge	2m	2.57	.
7	Co	2n	19	Ge	1b	3.56	.
7	Co	2n	20	Ge	1d	4.30	.
8	Co	2n	9	Co	2n	2.44	.
8	Co	2n	10	Co	2n	2.53	.
8	Co	2n	11	Co	2n	5.52	.
8	Co	2n	12	Co	2n	2.46	.
8	Co	2n	13	Co	2n	3.63	.
8	Co	2n	14	Co	2n	3.51	.
8	Co	2n	15	Co	1c	2.50	.
8	Co	2n	16	Co	1h	2.54	.
8	Co	2n	17	Ge	2m	2.57	.
8	Co	2n	18	Ge	2m	4.29	.
8	Co	2n	19	Ge	1b	3.56	.
8	Co	2n	20	Ge	1d	4.30	.
9	Co	2n	10	Co	2n	3.55	.
9	Co	2n	11	Co	2n	3.65	.
9	Co	2n	12	Co	2n	3.46	.
9	Co	2n	13	Co	2n	5.51	.
9	Co	2n	14	Co	2n	2.53	.
9	Co	2n	15	Co	1c	2.52	.
9	Co	2n	16	Co	1h	3.51	.
9	Co	2n	17	Ge	2m	4.36	.
9	Co	2n	18	Ge	2m	2.51	.
9	Co	2n	19	Ge	1b	2.51	.
9	Co	2n	20	Ge	1d	4.41	.
10	Co	2n	11	Co	2n	3.46	.
10	Co	2n	12	Co	2n	3.65	.
10	Co	2n	13	Co	2n	2.53	.
10	Co	2n	14	Co	2n	5.51	.
10	Co	2n	15	Co	1c	2.52	.
10	Co	2n	16	Co	1h	3.51	.
10	Co	2n	17	Ge	2m	2.51	.
10	Co	2n	18	Ge	2m	4.36	.
10	Co	2n	19	Ge	1b	2.51	.
10	Co	2n	20	Ge	1d	4.41	.
11	Co	2n	12	Co	2n	3.51	.
11	Co	2n	13	Co	2n	2.50	.
11	Co	2n	14	Co	2n	2.53	.
11	Co	2n	15	Co	1c	4.30	.
11	Co	2n	16	Co	1h	3.57	.
11	Co	2n	17	Ge	2m	4.36	.
11	Co	2n	18	Ge	2m	4.37	.
11	Co	2n	19	Ge	1b	2.52	.
11	Co	2n	20	Ge	1d	2.51	.
12	Co	2n	13	Co	2n	2.53	.
12	Co	2n	14	Co	2n	2.50	.
12	Co	2n	15	Co	1c	4.30	.
12	Co	2n	16	Co	1h	3.57	.
12	Co	2n	17	Ge	2m	4.37	.
12	Co	2n	18	Ge	2m	4.36	.
12	Co	2n	19	Ge	1b	2.52	.
12	Co	2n	20	Ge	1d	2.51	.
13	Co	2n	14	Co	2n	3.60	.
13	Co	2n	15	Co	1c	4.38	.
13	Co	2n	16	Co	1h	2.51	.
13	Co	2n	17	Ge	2m	2.53	.
13	Co	2n	18	Ge	2m	4.33	.
13	Co	2n	19	Ge	1b	3.48	.
13	Co	2n	20	Ge	1d	2.54	.
14	Co	2n	15	Co	1c	4.38	.
14	Co	2n	16	Co	1h	2.51	.
14	Co	2n	17	Ge	2m	4.33	.
14	Co	2n	18	Ge	2m	2.53	.
14	Co	2n	19	Ge	1b	3.48	.
14	Co	2n	20	Ge	1d	2.54	.
15	Co	1c	16	Co	1h	4.31	.
15	Co	1c	17	Ge	2m	2.51	.
15	Co	1c	18	Ge	2m	2.51	.
15	Co	1c	19	Ge	1b	4.38	.
15	Co	1c	20	Ge	1d	5.53	.
16	Co	1h	17	Ge	2m	2.51	.
16	Co	1h	18	Ge	2m	2.51	.
16	Co	1h	19	Ge	1b	5.53	.
16	Co	1h	20	Ge	1d	4.38	.
17	Ge	2m	18	Ge	2m	3.51	.
17	Ge	2m	19	Ge	1b	4.30	.
17	Ge	2m	20	Ge	1d	3.59	.
18	Ge	2m	19	Ge	1b	4.30	.
18	Ge	2m	20	Ge	1d	3.59	.
19	Ge	1b	20	Ge	1d	4.31	.

J_ij: magnetic exchange parameter between site i and j (Individual J_ij values are temporarily not available while we perform maintenance.)

Terms and conditions

Pair-resolved magnetic exchange parameters:

Individual exchange parameters:

Methods:

DFT calculations

exchange-correlation energy functional: GGA-PBE
pseudopotential type: PAW
cutoff energy: 65.0 Ry
k-point grid: (kx, ky, kz) = (6, 14, 6) 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)

Material:

Co4Ge

ID:

MMD-805

Explore database:

Compounds with the same formula: Co4Ge (8 entries found)

Compounds with the same elements: Co-Ge (27 entries found)

Space group:

Crystal system

monoclinic

Space group number

10

Hermann-Mauguin

P2/m

Hall

-P 2y

Point group

2/m

Structure data:

Normalized formula

Co4Ge

The number of formula units per unit cell

4

The total number of atoms per unit cell

20

The number of inequivalent sites per unit cell

12

Structure search

AGA search

Lattice parameters:

a (Å)

8.0010

b (Å)

3.5830

c (Å)

7.8500

α (deg.)

90.000

β (deg.)

88.560

γ (deg.)

90.000

Volume (Å3)

224.969

Density (g/cm3)

9.105

Crystal structure visualization:

Thermodynamic properties:

Formation energy (vs. elemental phases)

-43.3 meV/atom

Formation energy above hull

37.2 meV/atom

Phase diagram:

Related structures:

Compounds with the same formula: Co4Ge

8 entries found

Compounds with the same elements: Co-Ge

27 entries found

Magnetic properties:

Magnetic ordering

Ferromagnetic

Total magnetic moment

19.84 μB/cell

Averaged magnetic moment

0.99 μB/atom

Magnetic polarization, Js = μ0Ms

1.03 T (= 819.6 emu/cm3)

Curie temperature, TC

Magnetic anisotropy constant, Ka-c

-0.27 MJ/m3 (= -0.38 meV/cell)

Magnetic anisotropy constant, Kb-c

-0.45 MJ/m3 (= -0.62 meV/cell)

Magnetic anisotropy constant, Kb-a

-0.17 MJ/m3 (= -0.24 meV/cell)

Magnetic easy axis

b

Magnetic hardness parameter, κ

0.57

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

Site-resolved magnetic moments:

Co₄Ge

Compounds with the same formula: Co₄Ge (8 entries found)

Co₄Ge

Volume (Å³)

Density (g/cm³)

Compounds with the same formula: Co₄Ge

19.84 μ_B/cell

0.99 μ_B/atom

Magnetic polarization, J_s = μ₀M_s

1.03 T (= 819.6 emu/cm³)

Curie temperature, T_C

Magnetic anisotropy constant, K^a-c

-0.27 MJ/m³ (= -0.38 meV/cell)

Magnetic anisotropy constant, K^b-c

-0.45 MJ/m³ (= -0.62 meV/cell)

Magnetic anisotropy constant, K^b-a

-0.17 MJ/m³ (= -0.24 meV/cell)