Material:

Y5Co19P12

ID:

MMD-1846

Explore database:

Compounds with the same formula: Y5Co19P12 (1 entry found)
Compounds with the same elements: Y-Co-P (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

hexagonal

Space group number

189

Hermann-Mauguin

P-62m

Hall

P -6 -2

Point group

-6m2

Structure data:

Normalized formula

Y5Co19P12

The number of formula units per unit cell

1

The total number of atoms per unit cell

36

The number of inequivalent sites per unit cell

10

Structure search

MP

Lattice parameters:

a (Å)

12.0119

b (Å)

12.0119

c (Å)

3.6771

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

120.000

Volume (Å3)

459.469

Density (g/cm3)

6.997

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-889.5 meV/atom

Formation energy above hull

0 meV, (stable)

Phase diagram:

Phase diagram
The convex hull is temporarily not available while we perform maintenance.

Related structures:

Compounds with the same formula: Y5Co19P12

1 entry found

Compounds with the same elements: Y-Co-P

3 entries found

Binary compounds in Y-Co system

18 entries found

Binary compounds in Y-P system

No entries found

Binary compounds in Co-P system

9 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

7.63 μB/cell

Averaged magnetic moment

0.21 μB/atom

Magnetic polarization, Js = μ0Ms

0.19 T (= 151.2 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 Y 2d 0.333333 0.666667 0.500000 0.00 . .
2 Y 2d 0.666667 0.333333 0.500000 0.00 . .
3 Y 3f 0.000000 0.187652 0.000000 0.01 . .
4 Y 3f 0.812348 0.812348 0.000000 0.01 . .
5 Y 3f 0.187652 0.000000 0.000000 0.01 . .
6 Co 6k 0.622177 0.822347 0.500000 0.20 . .
7 Co 6k 0.177653 0.799830 0.500000 0.20 . .
8 Co 6k 0.200170 0.377823 0.500000 0.20 . .
9 Co 6k 0.377823 0.200170 0.500000 0.20 . .
10 Co 6k 0.822347 0.622177 0.500000 0.20 . .
11 Co 6k 0.799830 0.177653 0.500000 0.20 . .
12 Co 3g 0.000000 0.552652 0.500000 1.05 . .
13 Co 3g 0.447348 0.447348 0.500000 1.05 . .
14 Co 3g 0.552652 0.000000 0.500000 1.05 . .
15 Co 6j 0.516367 0.641721 0.000000 0.45 . .
16 Co 6j 0.358279 0.874646 0.000000 0.45 . .
17 Co 6j 0.125354 0.483633 0.000000 0.45 . .
18 Co 6j 0.483633 0.125354 0.000000 0.45 . .
19 Co 6j 0.641721 0.516367 0.000000 0.45 . .
20 Co 6j 0.874646 0.358279 0.000000 0.45 . .
21 Co 3f 0.000000 0.714926 0.000000 0.27 . .
22 Co 3f 0.285074 0.285074 0.000000 0.27 . .
23 Co 3f 0.714926 0.000000 0.000000 0.27 . .
24 Co 1b 0.000000 0.000000 0.500000 -0.02 . .
25 P 3g -0.000000 0.368486 0.500000 -0.00 . .
26 P 3g 0.631514 0.631514 0.500000 -0.00 . .
27 P 3g 0.368486 0.000000 0.500000 -0.00 . .
28 P 6j 0.520017 0.834315 0.000000 -0.00 . .
29 P 6j 0.165685 0.685702 0.000000 -0.00 . .
30 P 6j 0.314298 0.479983 0.000000 -0.00 . .
31 P 6j 0.479983 0.314298 0.000000 -0.00 . .
32 P 6j 0.834315 0.520017 0.000000 -0.00 . .
33 P 6j 0.685702 0.165685 0.000000 -0.00 . .
34 P 3g -0.000000 0.819100 0.500000 -0.00 . .
35 P 3g 0.180900 0.180900 0.500000 -0.00 . .
36 P 3g 0.819100 0.000000 0.500000 -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 Y 2d 2 Y 2d 6.94 .
1 Y 2d 3 Y 3f 5.43 .
1 Y 2d 4 Y 3f 5.43 .
1 Y 2d 5 Y 3f 5.43 .
1 Y 2d 6 Co 6k 3.01 .
1 Y 2d 7 Co 6k 3.01 .
1 Y 2d 8 Co 6k 3.01 .
1 Y 2d 9 Co 6k 5.89 .
1 Y 2d 10 Co 6k 5.89 .
1 Y 2d 11 Co 6k 5.89 .
1 Y 2d 12 Co 3g 3.52 .
1 Y 2d 13 Co 3g 3.52 .
1 Y 2d 14 Co 3g 3.52 .
1 Y 2d 15 Co 6j 2.99 .
1 Y 2d 16 Co 6j 2.99 .
1 Y 2d 17 Co 6j 2.99 .
1 Y 2d 18 Co 6j 5.20 .
1 Y 2d 19 Co 6j 5.20 .
1 Y 2d 20 Co 6j 5.20 .
1 Y 2d 21 Co 3f 4.70 .
1 Y 2d 22 Co 3f 4.70 .
1 Y 2d 23 Co 3f 4.70 .
1 Y 2d 24 Co 1b 6.94 .
1 Y 2d 25 P 3g 3.81 .
1 Y 2d 26 P 3g 3.81 .
1 Y 2d 27 P 3g 3.81 .
1 Y 2d 28 P 6j 2.82 .
1 Y 2d 29 P 6j 2.82 .
1 Y 2d 30 P 6j 2.82 .
1 Y 2d 31 P 6j 5.64 .
1 Y 2d 32 P 6j 5.64 .
1 Y 2d 33 P 6j 5.64 .
1 Y 2d 34 P 3g 5.17 .
1 Y 2d 35 P 3g 5.17 .
1 Y 2d 36 P 3g 5.17 .
2 Y 2d 3 Y 3f 5.43 .
2 Y 2d 4 Y 3f 5.43 .
2 Y 2d 5 Y 3f 5.43 .
2 Y 2d 6 Co 6k 5.89 .
2 Y 2d 7 Co 6k 5.89 .
2 Y 2d 8 Co 6k 5.89 .
2 Y 2d 9 Co 6k 3.01 .
2 Y 2d 10 Co 6k 3.01 .
2 Y 2d 11 Co 6k 3.01 .
2 Y 2d 12 Co 3g 3.52 .
2 Y 2d 13 Co 3g 3.52 .
2 Y 2d 14 Co 3g 3.52 .
2 Y 2d 15 Co 6j 5.20 .
2 Y 2d 16 Co 6j 5.20 .
2 Y 2d 17 Co 6j 5.20 .
2 Y 2d 18 Co 6j 2.99 .
2 Y 2d 19 Co 6j 2.99 .
2 Y 2d 20 Co 6j 2.99 .
2 Y 2d 21 Co 3f 4.70 .
2 Y 2d 22 Co 3f 4.70 .
2 Y 2d 23 Co 3f 4.70 .
2 Y 2d 24 Co 1b 6.94 .
2 Y 2d 25 P 3g 3.81 .
2 Y 2d 26 P 3g 3.81 .
2 Y 2d 27 P 3g 3.81 .
2 Y 2d 28 P 6j 5.64 .
2 Y 2d 29 P 6j 5.64 .
2 Y 2d 30 P 6j 5.64 .
2 Y 2d 31 P 6j 2.82 .
2 Y 2d 32 P 6j 2.82 .
2 Y 2d 33 P 6j 2.82 .
2 Y 2d 34 P 3g 5.17 .
2 Y 2d 35 P 3g 5.17 .
2 Y 2d 36 P 3g 5.17 .
3 Y 3f 4 Y 3f 3.90 .
3 Y 3f 5 Y 3f 3.90 .
3 Y 3f 6 Co 6k 4.83 .
3 Y 3f 7 Co 6k 6.29 .
3 Y 3f 8 Co 6k 2.98 .
3 Y 3f 9 Co 6k 4.83 .
3 Y 3f 10 Co 6k 6.29 .
3 Y 3f 11 Co 6k 2.98 .
3 Y 3f 12 Co 3g 4.75 .
3 Y 3f 13 Co 3g 5.02 .
3 Y 3f 14 Co 3g 5.02 .
3 Y 3f 15 Co 6j 5.86 .
3 Y 3f 16 Co 6j 6.68 .
3 Y 3f 17 Co 6j 3.09 .
3 Y 3f 18 Co 6j 5.86 .
3 Y 3f 19 Co 6j 6.68 .
3 Y 3f 20 Co 6j 3.09 .
3 Y 3f 21 Co 3f 5.68 .
3 Y 3f 22 Co 3f 3.01 .
3 Y 3f 23 Co 3f 3.01 .
3 Y 3f 24 Co 1b 2.91 .
3 Y 3f 25 P 3g 2.85 .
3 Y 3f 26 P 3g 6.17 .
3 Y 3f 27 P 3g 6.17 .
3 Y 3f 28 P 6j 5.18 .
3 Y 3f 29 P 6j 5.28 .
3 Y 3f 30 P 6j 3.65 .
3 Y 3f 31 P 6j 5.18 .
3 Y 3f 32 P 6j 5.28 .
3 Y 3f 33 P 6j 3.65 .
3 Y 3f 34 P 3g 4.79 .
3 Y 3f 35 P 3g 2.88 .
3 Y 3f 36 P 3g 2.88 .
4 Y 3f 5 Y 3f 3.90 .
4 Y 3f 6 Co 6k 2.98 .
4 Y 3f 7 Co 6k 4.83 .
4 Y 3f 8 Co 6k 6.29 .
4 Y 3f 9 Co 6k 6.29 .
4 Y 3f 10 Co 6k 2.98 .
4 Y 3f 11 Co 6k 4.83 .
4 Y 3f 12 Co 3g 5.02 .
4 Y 3f 13 Co 3g 4.75 .
4 Y 3f 14 Co 3g 5.02 .
4 Y 3f 15 Co 6j 3.09 .
4 Y 3f 16 Co 6j 5.86 .
4 Y 3f 17 Co 6j 6.68 .
4 Y 3f 18 Co 6j 6.68 .
4 Y 3f 19 Co 6j 3.09 .
4 Y 3f 20 Co 6j 5.86 .
4 Y 3f 21 Co 3f 3.01 .
4 Y 3f 22 Co 3f 5.68 .
4 Y 3f 23 Co 3f 3.01 .
4 Y 3f 24 Co 1b 2.91 .
4 Y 3f 25 P 3g 6.17 .
4 Y 3f 26 P 3g 2.85 .
4 Y 3f 27 P 3g 6.17 .
4 Y 3f 28 P 6j 3.65 .
4 Y 3f 29 P 6j 5.18 .
4 Y 3f 30 P 6j 5.28 .
4 Y 3f 31 P 6j 5.28 .
4 Y 3f 32 P 6j 3.65 .
4 Y 3f 33 P 6j 5.18 .
4 Y 3f 34 P 3g 2.88 .
4 Y 3f 35 P 3g 4.79 .
4 Y 3f 36 P 3g 2.88 .
5 Y 3f 6 Co 6k 6.29 .
5 Y 3f 7 Co 6k 2.98 .
5 Y 3f 8 Co 6k 4.83 .
5 Y 3f 9 Co 6k 2.98 .
5 Y 3f 10 Co 6k 4.83 .
5 Y 3f 11 Co 6k 6.29 .
5 Y 3f 12 Co 3g 5.02 .
5 Y 3f 13 Co 3g 5.02 .
5 Y 3f 14 Co 3g 4.75 .
5 Y 3f 15 Co 6j 6.68 .
5 Y 3f 16 Co 6j 3.09 .
5 Y 3f 17 Co 6j 5.86 .
5 Y 3f 18 Co 6j 3.09 .
5 Y 3f 19 Co 6j 5.86 .
5 Y 3f 20 Co 6j 6.68 .
5 Y 3f 21 Co 3f 3.01 .
5 Y 3f 22 Co 3f 3.01 .
5 Y 3f 23 Co 3f 5.68 .
5 Y 3f 24 Co 1b 2.91 .
5 Y 3f 25 P 3g 6.17 .
5 Y 3f 26 P 3g 6.17 .
5 Y 3f 27 P 3g 2.85 .
5 Y 3f 28 P 6j 5.28 .
5 Y 3f 29 P 6j 3.65 .
5 Y 3f 30 P 6j 5.18 .
5 Y 3f 31 P 6j 3.65 .
5 Y 3f 32 P 6j 5.18 .
5 Y 3f 33 P 6j 5.28 .
5 Y 3f 34 P 3g 2.88 .
5 Y 3f 35 P 3g 2.88 .
5 Y 3f 36 P 3g 4.79 .
6 Co 6k 7 Co 6k 5.21 .
6 Co 6k 8 Co 6k 5.21 .
6 Co 6k 9 Co 6k 6.52 .
6 Co 6k 10 Co 6k 4.16 .
6 Co 6k 11 Co 6k 3.70 .
6 Co 6k 12 Co 3g 6.49 .
6 Co 6k 13 Co 3g 3.90 .
6 Co 6k 14 Co 3g 2.65 .
6 Co 6k 15 Co 6j 2.64 .
6 Co 6k 16 Co 6j 3.98 .
6 Co 6k 17 Co 6j 5.59 .
6 Co 6k 18 Co 6j 5.05 .
6 Co 6k 19 Co 6j 4.22 .
6 Co 6k 20 Co 6j 5.87 .
6 Co 6k 21 Co 3f 5.61 .
6 Co 6k 22 Co 3f 5.94 .
6 Co 6k 23 Co 3f 2.61 .
6 Co 6k 24 Co 1b 3.93 .
6 Co 6k 25 P 3g 5.82 .
6 Co 6k 26 P 3g 2.35 .
6 Co 6k 27 P 3g 4.51 .
6 Co 6k 28 P 6j 2.25 .
6 Co 6k 29 P 6j 5.21 .
6 Co 6k 30 P 6j 4.33 .
6 Co 6k 31 P 6j 5.75 .
6 Co 6k 32 P 6j 5.68 .
6 Co 6k 33 P 6j 4.22 .
6 Co 6k 34 P 3g 4.56 .
6 Co 6k 35 P 3g 5.89 .
6 Co 6k 36 P 3g 2.26 .
7 Co 6k 8 Co 6k 5.21 .
7 Co 6k 9 Co 6k 4.16 .
7 Co 6k 10 Co 6k 3.70 .
7 Co 6k 11 Co 6k 6.52 .
7 Co 6k 12 Co 3g 2.65 .
7 Co 6k 13 Co 3g 6.49 .
7 Co 6k 14 Co 3g 3.90 .
7 Co 6k 15 Co 6j 5.59 .
7 Co 6k 16 Co 6j 2.64 .
7 Co 6k 17 Co 6j 3.98 .
7 Co 6k 18 Co 6j 4.22 .
7 Co 6k 19 Co 6j 5.87 .
7 Co 6k 20 Co 6j 5.05 .
7 Co 6k 21 Co 3f 2.61 .
7 Co 6k 22 Co 3f 5.61 .
7 Co 6k 23 Co 3f 5.94 .
7 Co 6k 24 Co 1b 3.93 .
7 Co 6k 25 P 3g 4.51 .
7 Co 6k 26 P 3g 5.82 .
7 Co 6k 27 P 3g 2.35 .
7 Co 6k 28 P 6j 4.33 .
7 Co 6k 29 P 6j 2.25 .
7 Co 6k 30 P 6j 5.21 .
7 Co 6k 31 P 6j 5.68 .
7 Co 6k 32 P 6j 4.22 .
7 Co 6k 33 P 6j 5.75 .
7 Co 6k 34 P 3g 2.26 .
7 Co 6k 35 P 3g 4.56 .
7 Co 6k 36 P 3g 5.89 .
8 Co 6k 9 Co 6k 3.70 .
8 Co 6k 10 Co 6k 6.52 .
8 Co 6k 11 Co 6k 4.16 .
8 Co 6k 12 Co 3g 3.90 .
8 Co 6k 13 Co 3g 2.65 .
8 Co 6k 14 Co 3g 6.49 .
8 Co 6k 15 Co 6j 3.98 .
8 Co 6k 16 Co 6j 5.59 .
8 Co 6k 17 Co 6j 2.64 .
8 Co 6k 18 Co 6j 5.87 .
8 Co 6k 19 Co 6j 5.05 .
8 Co 6k 20 Co 6j 4.22 .
8 Co 6k 21 Co 3f 5.94 .
8 Co 6k 22 Co 3f 2.61 .
8 Co 6k 23 Co 3f 5.61 .
8 Co 6k 24 Co 1b 3.93 .
8 Co 6k 25 P 3g 2.35 .
8 Co 6k 26 P 3g 4.51 .
8 Co 6k 27 P 3g 5.82 .
8 Co 6k 28 P 6j 5.21 .
8 Co 6k 29 P 6j 4.33 .
8 Co 6k 30 P 6j 2.25 .
8 Co 6k 31 P 6j 4.22 .
8 Co 6k 32 P 6j 5.75 .
8 Co 6k 33 P 6j 5.68 .
8 Co 6k 34 P 3g 5.89 .
8 Co 6k 35 P 3g 2.26 .
8 Co 6k 36 P 3g 4.56 .
9 Co 6k 10 Co 6k 5.21 .
9 Co 6k 11 Co 6k 5.21 .
9 Co 6k 12 Co 3g 6.49 .
9 Co 6k 13 Co 3g 2.65 .
9 Co 6k 14 Co 3g 3.90 .
9 Co 6k 15 Co 6j 5.05 .
9 Co 6k 16 Co 6j 4.22 .
9 Co 6k 17 Co 6j 5.87 .
9 Co 6k 18 Co 6j 2.64 .
9 Co 6k 19 Co 6j 3.98 .
9 Co 6k 20 Co 6j 5.59 .
9 Co 6k 21 Co 3f 5.61 .
9 Co 6k 22 Co 3f 2.61 .
9 Co 6k 23 Co 3f 5.94 .
9 Co 6k 24 Co 1b 3.93 .
9 Co 6k 25 P 3g 5.82 .
9 Co 6k 26 P 3g 4.51 .
9 Co 6k 27 P 3g 2.35 .
9 Co 6k 28 P 6j 5.75 .
9 Co 6k 29 P 6j 5.68 .
9 Co 6k 30 P 6j 4.22 .
9 Co 6k 31 P 6j 2.25 .
9 Co 6k 32 P 6j 5.21 .
9 Co 6k 33 P 6j 4.33 .
9 Co 6k 34 P 3g 4.56 .
9 Co 6k 35 P 3g 2.26 .
9 Co 6k 36 P 3g 5.89 .
10 Co 6k 11 Co 6k 5.21 .
10 Co 6k 12 Co 3g 2.65 .
10 Co 6k 13 Co 3g 3.90 .
10 Co 6k 14 Co 3g 6.49 .
10 Co 6k 15 Co 6j 4.22 .
10 Co 6k 16 Co 6j 5.87 .
10 Co 6k 17 Co 6j 5.05 .
10 Co 6k 18 Co 6j 5.59 .
10 Co 6k 19 Co 6j 2.64 .
10 Co 6k 20 Co 6j 3.98 .
10 Co 6k 21 Co 3f 2.61 .
10 Co 6k 22 Co 3f 5.94 .
10 Co 6k 23 Co 3f 5.61 .
10 Co 6k 24 Co 1b 3.93 .
10 Co 6k 25 P 3g 4.51 .
10 Co 6k 26 P 3g 2.35 .
10 Co 6k 27 P 3g 5.82 .
10 Co 6k 28 P 6j 5.68 .
10 Co 6k 29 P 6j 4.22 .
10 Co 6k 30 P 6j 5.75 .
10 Co 6k 31 P 6j 4.33 .
10 Co 6k 32 P 6j 2.25 .
10 Co 6k 33 P 6j 5.21 .
10 Co 6k 34 P 3g 2.26 .
10 Co 6k 35 P 3g 5.89 .
10 Co 6k 36 P 3g 4.56 .
11 Co 6k 12 Co 3g 3.90 .
11 Co 6k 13 Co 3g 6.49 .
11 Co 6k 14 Co 3g 2.65 .
11 Co 6k 15 Co 6j 5.87 .
11 Co 6k 16 Co 6j 5.05 .
11 Co 6k 17 Co 6j 4.22 .
11 Co 6k 18 Co 6j 3.98 .
11 Co 6k 19 Co 6j 5.59 .
11 Co 6k 20 Co 6j 2.64 .
11 Co 6k 21 Co 3f 5.94 .
11 Co 6k 22 Co 3f 5.61 .
11 Co 6k 23 Co 3f 2.61 .
11 Co 6k 24 Co 1b 3.93 .
11 Co 6k 25 P 3g 2.35 .
11 Co 6k 26 P 3g 5.82 .
11 Co 6k 27 P 3g 4.51 .
11 Co 6k 28 P 6j 4.22 .
11 Co 6k 29 P 6j 5.75 .
11 Co 6k 30 P 6j 5.68 .
11 Co 6k 31 P 6j 5.21 .
11 Co 6k 32 P 6j 4.33 .
11 Co 6k 33 P 6j 2.25 .
11 Co 6k 34 P 3g 5.89 .
11 Co 6k 35 P 3g 4.56 .
11 Co 6k 36 P 3g 2.26 .
12 Co 3g 13 Co 3g 6.11 .
12 Co 3g 14 Co 3g 6.11 .
12 Co 3g 15 Co 6j 6.03 .
12 Co 3g 16 Co 6j 4.50 .
12 Co 3g 17 Co 6j 2.75 .
12 Co 3g 18 Co 6j 6.03 .
12 Co 3g 19 Co 6j 4.50 .
12 Co 3g 20 Co 6j 2.75 .
12 Co 3g 21 Co 3f 2.68 .
12 Co 3g 22 Co 3f 6.04 .
12 Co 3g 23 Co 3f 6.04 .
12 Co 3g 24 Co 1b 5.37 .
12 Co 3g 25 P 3g 2.21 .
12 Co 3g 26 P 3g 4.97 .
12 Co 3g 27 P 3g 4.97 .
12 Co 3g 28 P 6j 5.72 .
12 Co 3g 29 P 6j 2.59 .
12 Co 3g 30 P 6j 4.66 .
12 Co 3g 31 P 6j 5.72 .
12 Co 3g 32 P 6j 2.59 .
12 Co 3g 33 P 6j 4.66 .
12 Co 3g 34 P 3g 3.20 .
12 Co 3g 35 P 3g 5.86 .
12 Co 3g 36 P 3g 5.86 .
13 Co 3g 14 Co 3g 6.11 .
13 Co 3g 15 Co 6j 2.75 .
13 Co 3g 16 Co 6j 6.03 .
13 Co 3g 17 Co 6j 4.50 .
13 Co 3g 18 Co 6j 4.50 .
13 Co 3g 19 Co 6j 2.75 .
13 Co 3g 20 Co 6j 6.03 .
13 Co 3g 21 Co 3f 6.04 .
13 Co 3g 22 Co 3f 2.68 .
13 Co 3g 23 Co 3f 6.04 .
13 Co 3g 24 Co 1b 5.37 .
13 Co 3g 25 P 3g 4.97 .
13 Co 3g 26 P 3g 2.21 .
13 Co 3g 27 P 3g 4.97 .
13 Co 3g 28 P 6j 4.66 .
13 Co 3g 29 P 6j 5.72 .
13 Co 3g 30 P 6j 2.59 .
13 Co 3g 31 P 6j 2.59 .
13 Co 3g 32 P 6j 4.66 .
13 Co 3g 33 P 6j 5.72 .
13 Co 3g 34 P 3g 5.86 .
13 Co 3g 35 P 3g 3.20 .
13 Co 3g 36 P 3g 5.86 .
14 Co 3g 15 Co 6j 4.50 .
14 Co 3g 16 Co 6j 2.75 .
14 Co 3g 17 Co 6j 6.03 .
14 Co 3g 18 Co 6j 2.75 .
14 Co 3g 19 Co 6j 6.03 .
14 Co 3g 20 Co 6j 4.50 .
14 Co 3g 21 Co 3f 6.04 .
14 Co 3g 22 Co 3f 6.04 .
14 Co 3g 23 Co 3f 2.68 .
14 Co 3g 24 Co 1b 5.37 .
14 Co 3g 25 P 3g 4.97 .
14 Co 3g 26 P 3g 4.97 .
14 Co 3g 27 P 3g 2.21 .
14 Co 3g 28 P 6j 2.59 .
14 Co 3g 29 P 6j 4.66 .
14 Co 3g 30 P 6j 5.72 .
14 Co 3g 31 P 6j 4.66 .
14 Co 3g 32 P 6j 5.72 .
14 Co 3g 33 P 6j 2.59 .
14 Co 3g 34 P 3g 5.86 .
14 Co 3g 35 P 3g 5.86 .
14 Co 3g 36 P 3g 3.20 .
15 Co 6j 16 Co 6j 4.09 .
15 Co 6j 17 Co 6j 4.09 .
15 Co 6j 18 Co 6j 6.02 .
15 Co 6j 19 Co 6j 2.61 .
15 Co 6j 20 Co 6j 6.69 .
15 Co 6j 21 Co 3f 5.42 .
15 Co 6j 22 Co 3f 3.76 .
15 Co 6j 23 Co 3f 3.73 .
15 Co 6j 24 Co 1b 5.54 .
15 Co 6j 25 P 3g 5.68 .
15 Co 6j 26 P 3g 2.34 .
15 Co 6j 27 P 3g 5.72 .
15 Co 6j 28 P 6j 2.29 .
15 Co 6j 29 P 6j 4.50 .
15 Co 6j 30 P 6j 2.22 .
15 Co 6j 31 P 6j 3.73 .
15 Co 6j 32 P 6j 4.72 .
15 Co 6j 33 P 6j 5.56 .
15 Co 6j 34 P 3g 5.41 .
15 Co 6j 35 P 3g 5.29 .
15 Co 6j 36 P 3g 4.41 .
16 Co 6j 17 Co 6j 4.09 .
16 Co 6j 18 Co 6j 2.61 .
16 Co 6j 19 Co 6j 6.69 .
16 Co 6j 20 Co 6j 6.02 .
16 Co 6j 21 Co 3f 3.73 .
16 Co 6j 22 Co 3f 5.42 .
16 Co 6j 23 Co 3f 3.76 .
16 Co 6j 24 Co 1b 5.54 .
16 Co 6j 25 P 3g 5.72 .
16 Co 6j 26 P 3g 5.68 .
16 Co 6j 27 P 3g 2.34 .
16 Co 6j 28 P 6j 2.22 .
16 Co 6j 29 P 6j 2.29 .
16 Co 6j 30 P 6j 4.50 .
16 Co 6j 31 P 6j 4.72 .
16 Co 6j 32 P 6j 5.56 .
16 Co 6j 33 P 6j 3.73 .
16 Co 6j 34 P 3g 4.41 .
16 Co 6j 35 P 3g 5.41 .
16 Co 6j 36 P 3g 5.29 .
17 Co 6j 18 Co 6j 6.69 .
17 Co 6j 19 Co 6j 6.02 .
17 Co 6j 20 Co 6j 2.61 .
17 Co 6j 21 Co 3f 3.76 .
17 Co 6j 22 Co 3f 3.73 .
17 Co 6j 23 Co 3f 5.42 .
17 Co 6j 24 Co 1b 5.54 .
17 Co 6j 25 P 3g 2.34 .
17 Co 6j 26 P 3g 5.72 .
17 Co 6j 27 P 3g 5.68 .
17 Co 6j 28 P 6j 4.50 .
17 Co 6j 29 P 6j 2.22 .
17 Co 6j 30 P 6j 2.29 .
17 Co 6j 31 P 6j 5.56 .
17 Co 6j 32 P 6j 3.73 .
17 Co 6j 33 P 6j 4.72 .
17 Co 6j 34 P 3g 5.29 .
17 Co 6j 35 P 3g 4.41 .
17 Co 6j 36 P 3g 5.41 .
18 Co 6j 19 Co 6j 4.09 .
18 Co 6j 20 Co 6j 4.09 .
18 Co 6j 21 Co 3f 5.42 .
18 Co 6j 22 Co 3f 3.73 .
18 Co 6j 23 Co 3f 3.76 .
18 Co 6j 24 Co 1b 5.54 .
18 Co 6j 25 P 3g 5.68 .
18 Co 6j 26 P 3g 5.72 .
18 Co 6j 27 P 3g 2.34 .
18 Co 6j 28 P 6j 3.73 .
18 Co 6j 29 P 6j 4.72 .
18 Co 6j 30 P 6j 5.56 .
18 Co 6j 31 P 6j 2.29 .
18 Co 6j 32 P 6j 4.50 .
18 Co 6j 33 P 6j 2.22 .
18 Co 6j 34 P 3g 5.41 .
18 Co 6j 35 P 3g 4.41 .
18 Co 6j 36 P 3g 5.29 .
19 Co 6j 20 Co 6j 4.09 .
19 Co 6j 21 Co 3f 3.73 .
19 Co 6j 22 Co 3f 3.76 .
19 Co 6j 23 Co 3f 5.42 .
19 Co 6j 24 Co 1b 5.54 .
19 Co 6j 25 P 3g 5.72 .
19 Co 6j 26 P 3g 2.34 .
19 Co 6j 27 P 3g 5.68 .
19 Co 6j 28 P 6j 4.72 .
19 Co 6j 29 P 6j 5.56 .
19 Co 6j 30 P 6j 3.73 .
19 Co 6j 31 P 6j 2.22 .
19 Co 6j 32 P 6j 2.29 .
19 Co 6j 33 P 6j 4.50 .
19 Co 6j 34 P 3g 4.41 .
19 Co 6j 35 P 3g 5.29 .
19 Co 6j 36 P 3g 5.41 .
20 Co 6j 21 Co 3f 3.76 .
20 Co 6j 22 Co 3f 5.42 .
20 Co 6j 23 Co 3f 3.73 .
20 Co 6j 24 Co 1b 5.54 .
20 Co 6j 25 P 3g 2.34 .
20 Co 6j 26 P 3g 5.68 .
20 Co 6j 27 P 3g 5.72 .
20 Co 6j 28 P 6j 5.56 .
20 Co 6j 29 P 6j 3.73 .
20 Co 6j 30 P 6j 4.72 .
20 Co 6j 31 P 6j 4.50 .
20 Co 6j 32 P 6j 2.22 .
20 Co 6j 33 P 6j 2.29 .
20 Co 6j 34 P 3g 5.29 .
20 Co 6j 35 P 3g 5.41 .
20 Co 6j 36 P 3g 4.41 .
21 Co 3f 22 Co 3f 5.93 .
21 Co 3f 23 Co 3f 5.93 .
21 Co 3f 24 Co 1b 3.89 .
21 Co 3f 25 P 3g 4.55 .
21 Co 3f 26 P 3g 4.42 .
21 Co 3f 27 P 3g 4.42 .
21 Co 3f 28 P 6j 5.67 .
21 Co 3f 29 P 6j 2.19 .
21 Co 3f 30 P 6j 5.73 .
21 Co 3f 31 P 6j 5.67 .
21 Co 3f 32 P 6j 2.19 .
21 Co 3f 33 P 6j 5.73 .
21 Co 3f 34 P 3g 2.22 .
21 Co 3f 35 P 3g 5.22 .
21 Co 3f 36 P 3g 5.22 .
22 Co 3f 23 Co 3f 5.93 .
22 Co 3f 24 Co 1b 3.89 .
22 Co 3f 25 P 3g 4.42 .
22 Co 3f 26 P 3g 4.55 .
22 Co 3f 27 P 3g 4.42 .
22 Co 3f 28 P 6j 5.73 .
22 Co 3f 29 P 6j 5.67 .
22 Co 3f 30 P 6j 2.19 .
22 Co 3f 31 P 6j 2.19 .
22 Co 3f 32 P 6j 5.73 .
22 Co 3f 33 P 6j 5.67 .
22 Co 3f 34 P 3g 5.22 .
22 Co 3f 35 P 3g 2.22 .
22 Co 3f 36 P 3g 5.22 .
23 Co 3f 24 Co 1b 3.89 .
23 Co 3f 25 P 3g 4.42 .
23 Co 3f 26 P 3g 4.42 .
23 Co 3f 27 P 3g 4.55 .
23 Co 3f 28 P 6j 2.19 .
23 Co 3f 29 P 6j 5.73 .
23 Co 3f 30 P 6j 5.67 .
23 Co 3f 31 P 6j 5.73 .
23 Co 3f 32 P 6j 5.67 .
23 Co 3f 33 P 6j 2.19 .
23 Co 3f 34 P 3g 5.22 .
23 Co 3f 35 P 3g 5.22 .
23 Co 3f 36 P 3g 2.22 .
24 Co 1b 25 P 3g 4.43 .
24 Co 1b 26 P 3g 4.43 .
24 Co 1b 27 P 3g 4.43 .
24 Co 1b 28 P 6j 5.40 .
24 Co 1b 29 P 6j 5.40 .
24 Co 1b 30 P 6j 5.40 .
24 Co 1b 31 P 6j 5.40 .
24 Co 1b 32 P 6j 5.40 .
24 Co 1b 33 P 6j 5.40 .
24 Co 1b 34 P 3g 2.17 .
24 Co 1b 35 P 3g 2.17 .
24 Co 1b 36 P 3g 2.17 .
25 P 3g 26 P 3g 6.60 .
25 P 3g 27 P 3g 6.60 .
25 P 3g 28 P 6j 6.23 .
25 P 3g 29 P 6j 3.78 .
25 P 3g 30 P 6j 3.79 .
25 P 3g 31 P 6j 6.23 .
25 P 3g 32 P 6j 3.78 .
25 P 3g 33 P 6j 3.79 .
25 P 3g 34 P 3g 5.41 .
25 P 3g 35 P 3g 3.83 .
25 P 3g 36 P 3g 3.83 .
26 P 3g 27 P 3g 6.60 .
26 P 3g 28 P 6j 3.79 .
26 P 3g 29 P 6j 6.23 .
26 P 3g 30 P 6j 3.78 .
26 P 3g 31 P 6j 3.78 .
26 P 3g 32 P 6j 3.79 .
26 P 3g 33 P 6j 6.23 .
26 P 3g 34 P 3g 3.83 .
26 P 3g 35 P 3g 5.41 .
26 P 3g 36 P 3g 3.83 .
27 P 3g 28 P 6j 3.78 .
27 P 3g 29 P 6j 3.79 .
27 P 3g 30 P 6j 6.23 .
27 P 3g 31 P 6j 3.79 .
27 P 3g 32 P 6j 6.23 .
27 P 3g 33 P 6j 3.78 .
27 P 3g 34 P 3g 3.83 .
27 P 3g 35 P 3g 3.83 .
27 P 3g 36 P 3g 5.41 .
28 P 6j 29 P 6j 3.70 .
28 P 6j 30 P 6j 3.70 .
28 P 6j 31 P 6j 6.02 .
28 P 6j 32 P 6j 6.54 .
28 P 6j 33 P 6j 3.45 .
28 P 6j 34 P 3g 6.14 .
28 P 6j 35 P 3g 7.04 .
28 P 6j 36 P 3g 3.62 .
29 P 6j 30 P 6j 3.70 .
29 P 6j 31 P 6j 6.54 .
29 P 6j 32 P 6j 3.45 .
29 P 6j 33 P 6j 6.02 .
29 P 6j 34 P 3g 3.62 .
29 P 6j 35 P 3g 6.14 .
29 P 6j 36 P 3g 7.04 .
30 P 6j 31 P 6j 3.45 .
30 P 6j 32 P 6j 6.02 .
30 P 6j 33 P 6j 6.54 .
30 P 6j 34 P 3g 7.04 .
30 P 6j 35 P 3g 3.62 .
30 P 6j 36 P 3g 6.14 .
31 P 6j 32 P 6j 3.70 .
31 P 6j 33 P 6j 3.70 .
31 P 6j 34 P 3g 6.14 .
31 P 6j 35 P 3g 3.62 .
31 P 6j 36 P 3g 7.04 .
32 P 6j 33 P 6j 3.70 .
32 P 6j 34 P 3g 3.62 .
32 P 6j 35 P 3g 7.04 .
32 P 6j 36 P 3g 6.14 .
33 P 6j 34 P 3g 7.04 .
33 P 6j 35 P 3g 6.14 .
33 P 6j 36 P 3g 3.62 .
34 P 3g 35 P 3g 3.76 .
34 P 3g 36 P 3g 3.76 .
35 P 3g 36 P 3g 3.76 .
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-1216287
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