NovoMag Database

Material:

Co₅Ge₇

ID:

MMD-1398

Explore database:

Compounds with the same formula: Co₅Ge₇ (1 entry found)

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

Space group:

Crystal system	tetragonal
Space group number	107
Hermann-Mauguin	I4mm
Hall	I 4 -2
Point group	4mm

Structure data:

Normalized formula	Co₅Ge₇
The number of formula units per unit cell	2
The total number of atoms per unit cell	24
The number of inequivalent sites per unit cell	5
Structure search	MP

Lattice parameters:

a (Å)	7.9911
b (Å)	7.9911
c (Å)	5.8538
α (deg.)	90.000
β (deg.)	90.000
γ (deg.)	90.000
Volume (Å³)	373.807
Density (g/cm³)	7.136

Crystal structure visualization:

Thermodynamic properties:

	DFT calculations (details)
Formation energy (vs. elemental phases)	406.2 meV/atom
Formation energy above hull	576.9 meV/atom

Phase diagram:

Related structures:

Compounds with the same formula: Co₅Ge₇	1 entry found
Compounds with the same elements: Co-Ge	27 entries found

Magnetic properties:

	DFT calculations (details)
Magnetic ordering	Ferromagnetic
Total magnetic moment	5.77 μ_B/cell
Averaged magnetic moment	0.24 μ_B/atom
Magnetic polarization, J_s = μ₀M_s	0.18 T (= 143.2 emu/cm³)

	LMTO-GF calculations (details)
Curie temperature, T_C

	DFT calculations (details)
Magnetic anisotropy constant, K^a-c	0.29 MJ/m³ (= 0.67 meV/cell)
Magnetic easy axis	c
Magnetic hardness parameter, κ	3.33

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	2a	0.000000	0.000000	0.540247	0.35	.	.
2	Co	2a	0.265642	0.734358	0.987319	0.68	.	.
3	Co	8c	0.265642	0.265642	0.987319	0.68	.	.
4	Co	8c	0.234358	0.234358	0.487319	0.68	.	.
5	Co	8c	0.234358	0.765642	0.487319	0.68	.	.
6	Co	8c	0.500000	0.500000	0.040247	0.35	.	.
7	Co	8c	0.765642	0.234358	0.487319	0.68	.	.
8	Co	8c	0.765642	0.765642	0.487319	0.68	.	.
9	Co	8c	0.734358	0.734358	0.987319	0.68	.	.
10	Co	8c	0.734358	0.265642	0.987319	0.68	.	.
11	Ge	2a	0.000000	0.000000	0.159757	-0.00	.	.
12	Ge	2a	0.500000	0.000000	0.019850	-0.00	.	.
13	Ge	4b	0.500000	0.000000	0.519850	-0.00	.	.
14	Ge	4b	0.500000	0.740547	0.277755	-0.01	.	.
15	Ge	4b	0.759453	0.000000	0.777755	-0.01	.	.
16	Ge	4b	0.240547	0.000000	0.777755	-0.01	.	.
17	Ge	8d	0.500000	0.259453	0.277755	-0.01	.	.
18	Ge	8d	0.500000	0.500000	0.659757	-0.00	.	.
19	Ge	8d	0.000000	0.500000	0.519850	-0.00	.	.
20	Ge	8d	0.000000	0.500000	0.019850	-0.00	.	.
21	Ge	8d	0.000000	0.240547	0.777755	-0.01	.	.
22	Ge	8d	0.259453	0.500000	0.277755	-0.01	.	.
23	Ge	8d	0.740547	0.500000	0.277755	-0.01	.	.
24	Ge	8d	0.000000	0.759453	0.777755	-0.01	.	.

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	2a	2	Co	2a	3.98	.
1	Co	2a	3	Co	8c	3.98	.
1	Co	2a	4	Co	8c	2.67	.
1	Co	2a	5	Co	8c	2.67	.
1	Co	2a	6	Co	8c	6.36	.
1	Co	2a	7	Co	8c	2.67	.
1	Co	2a	8	Co	8c	2.67	.
1	Co	2a	9	Co	8c	3.98	.
1	Co	2a	10	Co	8c	3.98	.
1	Co	2a	11	Ge	2a	2.23	.
1	Co	2a	12	Ge	2a	4.88	.
1	Co	2a	13	Ge	4b	4.00	.
1	Co	2a	14	Ge	4b	4.76	.
1	Co	2a	15	Ge	4b	2.37	.
1	Co	2a	16	Ge	4b	2.37	.
1	Co	2a	17	Ge	8d	4.76	.
1	Co	2a	18	Ge	8d	5.69	.
1	Co	2a	19	Ge	8d	4.00	.
1	Co	2a	20	Ge	8d	4.88	.
1	Co	2a	21	Ge	8d	2.37	.
1	Co	2a	22	Ge	8d	4.76	.
1	Co	2a	23	Ge	8d	4.76	.
1	Co	2a	24	Ge	8d	2.37	.
2	Co	2a	3	Co	8c	3.75	.
2	Co	2a	4	Co	8c	4.96	.
2	Co	2a	5	Co	8c	2.95	.
2	Co	2a	6	Co	8c	2.67	.
2	Co	2a	7	Co	8c	6.36	.
2	Co	2a	8	Co	8c	4.96	.
2	Co	2a	9	Co	8c	3.75	.
2	Co	2a	10	Co	8c	5.30	.
2	Co	2a	11	Ge	2a	3.17	.
2	Co	2a	12	Ge	2a	2.84	.
2	Co	2a	13	Ge	4b	3.94	.
2	Co	2a	14	Ge	4b	2.53	.
2	Co	2a	15	Ge	4b	4.65	.
2	Co	2a	16	Ge	4b	2.46	.
2	Co	2a	17	Ge	8d	4.56	.
2	Co	2a	18	Ge	8d	3.27	.
2	Co	2a	19	Ge	8d	3.94	.
2	Co	2a	20	Ge	8d	2.84	.
2	Co	2a	21	Ge	8d	4.65	.
2	Co	2a	22	Ge	8d	2.53	.
2	Co	2a	23	Ge	8d	4.56	.
2	Co	2a	24	Ge	8d	2.46	.
3	Co	8c	4	Co	8c	2.95	.
3	Co	8c	5	Co	8c	4.96	.
3	Co	8c	6	Co	8c	2.67	.
3	Co	8c	7	Co	8c	4.96	.
3	Co	8c	8	Co	8c	6.36	.
3	Co	8c	9	Co	8c	5.30	.
3	Co	8c	10	Co	8c	3.75	.
3	Co	8c	11	Ge	2a	3.17	.
3	Co	8c	12	Ge	2a	2.84	.
3	Co	8c	13	Ge	4b	3.94	.
3	Co	8c	14	Ge	4b	4.56	.
3	Co	8c	15	Ge	4b	4.65	.
3	Co	8c	16	Ge	4b	2.46	.
3	Co	8c	17	Ge	8d	2.53	.
3	Co	8c	18	Ge	8d	3.27	.
3	Co	8c	19	Ge	8d	3.94	.
3	Co	8c	20	Ge	8d	2.84	.
3	Co	8c	21	Ge	8d	2.46	.
3	Co	8c	22	Ge	8d	2.53	.
3	Co	8c	23	Ge	8d	4.56	.
3	Co	8c	24	Ge	8d	4.65	.
4	Co	8c	5	Co	8c	3.75	.
4	Co	8c	6	Co	8c	3.98	.
4	Co	8c	7	Co	8c	3.75	.
4	Co	8c	8	Co	8c	5.30	.
4	Co	8c	9	Co	8c	6.36	.
4	Co	8c	10	Co	8c	4.96	.
4	Co	8c	11	Ge	2a	3.27	.
4	Co	8c	12	Ge	2a	3.94	.
4	Co	8c	13	Ge	4b	2.84	.
4	Co	8c	14	Ge	4b	4.65	.
4	Co	8c	15	Ge	4b	4.56	.
4	Co	8c	16	Ge	4b	2.53	.
4	Co	8c	17	Ge	8d	2.46	.
4	Co	8c	18	Ge	8d	3.17	.
4	Co	8c	19	Ge	8d	2.84	.
4	Co	8c	20	Ge	8d	3.94	.
4	Co	8c	21	Ge	8d	2.53	.
4	Co	8c	22	Ge	8d	2.46	.
4	Co	8c	23	Ge	8d	4.65	.
4	Co	8c	24	Ge	8d	4.56	.
5	Co	8c	6	Co	8c	3.98	.
5	Co	8c	7	Co	8c	5.30	.
5	Co	8c	8	Co	8c	3.75	.
5	Co	8c	9	Co	8c	4.96	.
5	Co	8c	10	Co	8c	6.36	.
5	Co	8c	11	Ge	2a	3.27	.
5	Co	8c	12	Ge	2a	3.94	.
5	Co	8c	13	Ge	4b	2.84	.
5	Co	8c	14	Ge	4b	2.46	.
5	Co	8c	15	Ge	4b	4.56	.
5	Co	8c	16	Ge	4b	2.53	.
5	Co	8c	17	Ge	8d	4.65	.
5	Co	8c	18	Ge	8d	3.17	.
5	Co	8c	19	Ge	8d	2.84	.
5	Co	8c	20	Ge	8d	3.94	.
5	Co	8c	21	Ge	8d	4.56	.
5	Co	8c	22	Ge	8d	2.46	.
5	Co	8c	23	Ge	8d	4.65	.
5	Co	8c	24	Ge	8d	2.53	.
6	Co	8c	7	Co	8c	3.98	.
6	Co	8c	8	Co	8c	3.98	.
6	Co	8c	9	Co	8c	2.67	.
6	Co	8c	10	Co	8c	2.67	.
6	Co	8c	11	Ge	2a	5.69	.
6	Co	8c	12	Ge	2a	4.00	.
6	Co	8c	13	Ge	4b	4.88	.
6	Co	8c	14	Ge	4b	2.37	.
6	Co	8c	15	Ge	4b	4.76	.
6	Co	8c	16	Ge	4b	4.76	.
6	Co	8c	17	Ge	8d	2.37	.
6	Co	8c	18	Ge	8d	2.23	.
6	Co	8c	19	Ge	8d	4.88	.
6	Co	8c	20	Ge	8d	4.00	.
6	Co	8c	21	Ge	8d	4.76	.
6	Co	8c	22	Ge	8d	2.37	.
6	Co	8c	23	Ge	8d	2.37	.
6	Co	8c	24	Ge	8d	4.76	.
7	Co	8c	8	Co	8c	3.75	.
7	Co	8c	9	Co	8c	4.96	.
7	Co	8c	10	Co	8c	2.95	.
7	Co	8c	11	Ge	2a	3.27	.
7	Co	8c	12	Ge	2a	3.94	.
7	Co	8c	13	Ge	4b	2.84	.
7	Co	8c	14	Ge	4b	4.65	.
7	Co	8c	15	Ge	4b	2.53	.
7	Co	8c	16	Ge	4b	4.56	.
7	Co	8c	17	Ge	8d	2.46	.
7	Co	8c	18	Ge	8d	3.17	.
7	Co	8c	19	Ge	8d	2.84	.
7	Co	8c	20	Ge	8d	3.94	.
7	Co	8c	21	Ge	8d	2.53	.
7	Co	8c	22	Ge	8d	4.65	.
7	Co	8c	23	Ge	8d	2.46	.
7	Co	8c	24	Ge	8d	4.56	.
8	Co	8c	9	Co	8c	2.95	.
8	Co	8c	10	Co	8c	4.96	.
8	Co	8c	11	Ge	2a	3.27	.
8	Co	8c	12	Ge	2a	3.94	.
8	Co	8c	13	Ge	4b	2.84	.
8	Co	8c	14	Ge	4b	2.46	.
8	Co	8c	15	Ge	4b	2.53	.
8	Co	8c	16	Ge	4b	4.56	.
8	Co	8c	17	Ge	8d	4.65	.
8	Co	8c	18	Ge	8d	3.17	.
8	Co	8c	19	Ge	8d	2.84	.
8	Co	8c	20	Ge	8d	3.94	.
8	Co	8c	21	Ge	8d	4.56	.
8	Co	8c	22	Ge	8d	4.65	.
8	Co	8c	23	Ge	8d	2.46	.
8	Co	8c	24	Ge	8d	2.53	.
9	Co	8c	10	Co	8c	3.75	.
9	Co	8c	11	Ge	2a	3.17	.
9	Co	8c	12	Ge	2a	2.84	.
9	Co	8c	13	Ge	4b	3.94	.
9	Co	8c	14	Ge	4b	2.53	.
9	Co	8c	15	Ge	4b	2.46	.
9	Co	8c	16	Ge	4b	4.65	.
9	Co	8c	17	Ge	8d	4.56	.
9	Co	8c	18	Ge	8d	3.27	.
9	Co	8c	19	Ge	8d	3.94	.
9	Co	8c	20	Ge	8d	2.84	.
9	Co	8c	21	Ge	8d	4.65	.
9	Co	8c	22	Ge	8d	4.56	.
9	Co	8c	23	Ge	8d	2.53	.
9	Co	8c	24	Ge	8d	2.46	.
10	Co	8c	11	Ge	2a	3.17	.
10	Co	8c	12	Ge	2a	2.84	.
10	Co	8c	13	Ge	4b	3.94	.
10	Co	8c	14	Ge	4b	4.56	.
10	Co	8c	15	Ge	4b	2.46	.
10	Co	8c	16	Ge	4b	4.65	.
10	Co	8c	17	Ge	8d	2.53	.
10	Co	8c	18	Ge	8d	3.27	.
10	Co	8c	19	Ge	8d	3.94	.
10	Co	8c	20	Ge	8d	2.84	.
10	Co	8c	21	Ge	8d	2.46	.
10	Co	8c	22	Ge	8d	4.56	.
10	Co	8c	23	Ge	8d	2.53	.
10	Co	8c	24	Ge	8d	4.65	.
11	Ge	2a	12	Ge	2a	4.08	.
11	Ge	2a	13	Ge	4b	4.52	.
11	Ge	2a	14	Ge	4b	4.55	.
11	Ge	2a	15	Ge	4b	2.95	.
11	Ge	2a	16	Ge	4b	2.95	.
11	Ge	2a	17	Ge	8d	4.55	.
11	Ge	2a	18	Ge	8d	6.36	.
11	Ge	2a	19	Ge	8d	4.52	.
11	Ge	2a	20	Ge	8d	4.08	.
11	Ge	2a	21	Ge	8d	2.95	.
11	Ge	2a	22	Ge	8d	4.55	.
11	Ge	2a	23	Ge	8d	4.55	.
11	Ge	2a	24	Ge	8d	2.95	.
12	Ge	2a	13	Ge	4b	2.93	.
12	Ge	2a	14	Ge	4b	2.56	.
12	Ge	2a	15	Ge	4b	2.51	.
12	Ge	2a	16	Ge	4b	2.51	.
12	Ge	2a	17	Ge	8d	2.56	.
12	Ge	2a	18	Ge	8d	4.52	.
12	Ge	2a	19	Ge	8d	6.36	.
12	Ge	2a	20	Ge	8d	5.65	.
12	Ge	2a	21	Ge	8d	4.65	.
12	Ge	2a	22	Ge	8d	4.68	.
12	Ge	2a	23	Ge	8d	4.68	.
12	Ge	2a	24	Ge	8d	4.65	.
13	Ge	4b	14	Ge	4b	2.51	.
13	Ge	4b	15	Ge	4b	2.56	.
13	Ge	4b	16	Ge	4b	2.56	.
13	Ge	4b	17	Ge	8d	2.51	.
13	Ge	4b	18	Ge	8d	4.08	.
13	Ge	4b	19	Ge	8d	5.65	.
13	Ge	4b	20	Ge	8d	6.36	.
13	Ge	4b	21	Ge	8d	4.68	.
13	Ge	4b	22	Ge	8d	4.65	.
13	Ge	4b	23	Ge	8d	4.65	.
13	Ge	4b	24	Ge	8d	4.68	.
14	Ge	4b	15	Ge	4b	4.14	.
14	Ge	4b	16	Ge	4b	4.14	.
14	Ge	4b	17	Ge	8d	3.84	.
14	Ge	4b	18	Ge	8d	2.95	.
14	Ge	4b	19	Ge	8d	4.65	.
14	Ge	4b	20	Ge	8d	4.68	.
14	Ge	4b	21	Ge	8d	6.36	.
14	Ge	4b	22	Ge	8d	2.72	.
14	Ge	4b	23	Ge	8d	2.72	.
14	Ge	4b	24	Ge	8d	4.96	.
15	Ge	4b	16	Ge	4b	3.84	.
15	Ge	4b	17	Ge	8d	4.14	.
15	Ge	4b	18	Ge	8d	4.55	.
15	Ge	4b	19	Ge	8d	4.68	.
15	Ge	4b	20	Ge	8d	4.65	.
15	Ge	4b	21	Ge	8d	2.72	.
15	Ge	4b	22	Ge	8d	6.36	.
15	Ge	4b	23	Ge	8d	4.96	.
15	Ge	4b	24	Ge	8d	2.72	.
16	Ge	4b	17	Ge	8d	4.14	.
16	Ge	4b	18	Ge	8d	4.55	.
16	Ge	4b	19	Ge	8d	4.68	.
16	Ge	4b	20	Ge	8d	4.65	.
16	Ge	4b	21	Ge	8d	2.72	.
16	Ge	4b	22	Ge	8d	4.96	.
16	Ge	4b	23	Ge	8d	6.36	.
16	Ge	4b	24	Ge	8d	2.72	.
17	Ge	8d	18	Ge	8d	2.95	.
17	Ge	8d	19	Ge	8d	4.65	.
17	Ge	8d	20	Ge	8d	4.68	.
17	Ge	8d	21	Ge	8d	4.96	.
17	Ge	8d	22	Ge	8d	2.72	.
17	Ge	8d	23	Ge	8d	2.72	.
17	Ge	8d	24	Ge	8d	6.36	.
18	Ge	8d	19	Ge	8d	4.08	.
18	Ge	8d	20	Ge	8d	4.52	.
18	Ge	8d	21	Ge	8d	4.55	.
18	Ge	8d	22	Ge	8d	2.95	.
18	Ge	8d	23	Ge	8d	2.95	.
18	Ge	8d	24	Ge	8d	4.55	.
19	Ge	8d	20	Ge	8d	2.93	.
19	Ge	8d	21	Ge	8d	2.56	.
19	Ge	8d	22	Ge	8d	2.51	.
19	Ge	8d	23	Ge	8d	2.51	.
19	Ge	8d	24	Ge	8d	2.56	.
20	Ge	8d	21	Ge	8d	2.51	.
20	Ge	8d	22	Ge	8d	2.56	.
20	Ge	8d	23	Ge	8d	2.56	.
20	Ge	8d	24	Ge	8d	2.51	.
21	Ge	8d	22	Ge	8d	4.14	.
21	Ge	8d	23	Ge	8d	4.14	.
21	Ge	8d	24	Ge	8d	3.84	.
22	Ge	8d	23	Ge	8d	3.84	.
22	Ge	8d	24	Ge	8d	4.14	.
23	Ge	8d	24	Ge	8d	4.14	.

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:

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) = (8, 8, 10) for magnetic anisotropy calculations
package: QE (v6.3)

Material:

Co5Ge7

ID:

MMD-1398

Explore database:

Compounds with the same formula: Co5Ge7 (1 entry found)

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

Space group:

Crystal system

tetragonal

Space group number

107

Hermann-Mauguin

I4mm

Hall

I 4 -2

Point group

4mm

Structure data:

Normalized formula

Co5Ge7

The number of formula units per unit cell

2

The total number of atoms per unit cell

24

The number of inequivalent sites per unit cell

5

Structure search

MP

Lattice parameters:

a (Å)

7.9911

b (Å)

7.9911

c (Å)

5.8538

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

373.807

Density (g/cm3)

7.136

Crystal structure visualization:

Thermodynamic properties:

Formation energy (vs. elemental phases)

406.2 meV/atom

Formation energy above hull

576.9 meV/atom

Phase diagram:

Related structures:

Compounds with the same formula: Co5Ge7

1 entry found

Compounds with the same elements: Co-Ge

27 entries found

Magnetic properties:

Magnetic ordering

Ferromagnetic

Total magnetic moment

5.77 μB/cell

Averaged magnetic moment

0.24 μB/atom

Magnetic polarization, Js = μ0Ms

0.18 T (= 143.2 emu/cm3)

Curie temperature, TC

Magnetic anisotropy constant, Ka-c

0.29 MJ/m3 (= 0.67 meV/cell)

Magnetic easy axis

c

Magnetic hardness parameter, κ

3.33

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

Site-resolved magnetic moments:

Pair-wise magnetic data:

Pair-resolved magnetic exchange parameters:

Individual exchange parameters:

Methods:

Co₅Ge₇

Compounds with the same formula: Co₅Ge₇ (1 entry found)

Co₅Ge₇

Volume (Å³)

Density (g/cm³)

Compounds with the same formula: Co₅Ge₇

5.77 μ_B/cell

0.24 μ_B/atom

Magnetic polarization, J_s = μ₀M_s

0.18 T (= 143.2 emu/cm³)

Curie temperature, T_C

Magnetic anisotropy constant, K^a-c

0.29 MJ/m³ (= 0.67 meV/cell)