Material:

YCo5P3

ID:

MMD-2004

Explore database:

Compounds with the same formula: YCo5P3 (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

orthorhombic

Space group number

62

Hermann-Mauguin

Pnma

Hall

-P 2ac 2n

Point group

mmm

Structure data:

Normalized formula

YCo5P3

The number of formula units per unit cell

4

The total number of atoms per unit cell

36

The number of inequivalent sites per unit cell

9

Structure search

MP

Lattice parameters:

a (Å)

11.7407

b (Å)

3.6499

c (Å)

10.2751

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

440.315

Density (g/cm3)

7.188

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-841.0 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: YCo5P3

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

5.41 μB/cell

Averaged magnetic moment

0.15 μB/atom

Magnetic polarization, Js = μ0Ms

0.14 T (= 111.4 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 4c 0.250000 0.917001 0.202830 -0.01 . .
2 Y 4c 0.750000 0.082999 0.797170 -0.01 . .
3 Y 4c 0.750000 0.417001 0.297170 -0.01 . .
4 Y 4c 0.250000 0.582999 0.702830 -0.01 . .
5 Co 4c 0.250000 0.784324 0.490825 0.69 . .
6 Co 4c 0.750000 0.215676 0.509175 0.69 . .
7 Co 4c 0.750000 0.284324 0.009175 0.69 . .
8 Co 4c 0.250000 0.715676 0.990825 0.69 . .
9 Co 4c 0.250000 0.093330 0.988171 0.40 . .
10 Co 4c 0.750000 0.906670 0.011829 0.40 . .
11 Co 4c 0.750000 0.593330 0.511829 0.40 . .
12 Co 4c 0.250000 0.406670 0.488171 0.40 . .
13 Co 4c 0.250000 0.278850 0.676604 0.23 . .
14 Co 4c 0.750000 0.721150 0.323396 0.23 . .
15 Co 4c 0.750000 0.778850 0.823396 0.23 . .
16 Co 4c 0.250000 0.221150 0.176604 0.23 . .
17 Co 4c 0.250000 0.617548 0.198386 0.05 . .
18 Co 4c 0.750000 0.382452 0.801614 0.05 . .
19 Co 4c 0.750000 0.117548 0.301614 0.05 . .
20 Co 4c 0.250000 0.882452 0.698386 0.05 . .
21 Co 4c 0.250000 0.032379 0.431929 0.06 . .
22 Co 4c 0.750000 0.967621 0.568071 0.06 . .
23 Co 4c 0.750000 0.532379 0.068071 0.06 . .
24 Co 4c 0.250000 0.467621 0.931929 0.06 . .
25 P 4c 0.250000 0.081530 0.611765 -0.00 . .
26 P 4c 0.750000 0.918470 0.388235 -0.00 . .
27 P 4c 0.750000 0.581530 0.888235 -0.00 . .
28 P 4c 0.250000 0.418470 0.111765 -0.00 . .
29 P 4c 0.250000 0.229132 0.370319 -0.00 . .
30 P 4c 0.750000 0.770868 0.629681 -0.00 . .
31 P 4c 0.750000 0.729132 0.129681 -0.00 . .
32 P 4c 0.250000 0.270868 0.870319 -0.00 . .
33 P 4c 0.250000 0.897736 0.891449 -0.00 . .
34 P 4c 0.750000 0.102264 0.108551 -0.00 . .
35 P 4c 0.750000 0.397736 0.608551 -0.00 . .
36 P 4c 0.250000 0.602264 0.391449 -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 4c 2 Y 4c 7.23 .
1 Y 4c 3 Y 4c 6.22 .
1 Y 4c 4 Y 4c 5.28 .
1 Y 4c 5 Co 4c 3.00 .
1 Y 4c 6 Co 4c 6.75 .
1 Y 4c 7 Co 4c 6.34 .
1 Y 4c 8 Co 4c 2.30 .
1 Y 4c 9 Co 4c 2.30 .
1 Y 4c 10 Co 4c 6.19 .
1 Y 4c 11 Co 4c 6.78 .
1 Y 4c 12 Co 4c 3.43 .
1 Y 4c 13 Co 4c 5.04 .
1 Y 4c 14 Co 4c 6.04 .
1 Y 4c 15 Co 4c 7.07 .
1 Y 4c 16 Co 4c 1.14 .
1 Y 4c 17 Co 4c 1.09 .
1 Y 4c 18 Co 4c 7.37 .
1 Y 4c 19 Co 4c 6.00 .
1 Y 4c 20 Co 4c 5.09 .
1 Y 4c 21 Co 4c 2.39 .
1 Y 4c 22 Co 4c 6.97 .
1 Y 4c 23 Co 4c 6.19 .
1 Y 4c 24 Co 4c 3.23 .
1 Y 4c 25 P 4c 4.24 .
1 Y 4c 26 P 4c 6.17 .
1 Y 4c 27 P 4c 6.81 .
1 Y 4c 28 P 4c 2.05 .
1 Y 4c 29 P 4c 2.06 .
1 Y 4c 30 P 4c 7.35 .
1 Y 4c 31 P 4c 5.96 .
1 Y 4c 32 P 4c 3.65 .
1 Y 4c 33 P 4c 3.20 .
1 Y 4c 34 P 4c 5.99 .
1 Y 4c 35 P 4c 7.41 .
1 Y 4c 36 P 4c 2.25 .
2 Y 4c 3 Y 4c 5.28 .
2 Y 4c 4 Y 4c 6.22 .
2 Y 4c 5 Co 4c 6.75 .
2 Y 4c 6 Co 4c 3.00 .
2 Y 4c 7 Co 4c 2.30 .
2 Y 4c 8 Co 4c 6.34 .
2 Y 4c 9 Co 4c 6.19 .
2 Y 4c 10 Co 4c 2.30 .
2 Y 4c 11 Co 4c 3.43 .
2 Y 4c 12 Co 4c 6.78 .
2 Y 4c 13 Co 4c 6.04 .
2 Y 4c 14 Co 4c 5.04 .
2 Y 4c 15 Co 4c 1.14 .
2 Y 4c 16 Co 4c 7.07 .
2 Y 4c 17 Co 4c 7.37 .
2 Y 4c 18 Co 4c 1.09 .
2 Y 4c 19 Co 4c 5.09 .
2 Y 4c 20 Co 4c 6.00 .
2 Y 4c 21 Co 4c 6.97 .
2 Y 4c 22 Co 4c 2.39 .
2 Y 4c 23 Co 4c 3.23 .
2 Y 4c 24 Co 4c 6.19 .
2 Y 4c 25 P 4c 6.17 .
2 Y 4c 26 P 4c 4.24 .
2 Y 4c 27 P 4c 2.05 .
2 Y 4c 28 P 4c 6.81 .
2 Y 4c 29 P 4c 7.35 .
2 Y 4c 30 P 4c 2.06 .
2 Y 4c 31 P 4c 3.65 .
2 Y 4c 32 P 4c 5.96 .
2 Y 4c 33 P 4c 5.99 .
2 Y 4c 34 P 4c 3.20 .
2 Y 4c 35 P 4c 2.25 .
2 Y 4c 36 P 4c 7.41 .
3 Y 4c 4 Y 4c 7.23 .
3 Y 4c 5 Co 4c 6.34 .
3 Y 4c 6 Co 4c 2.30 .
3 Y 4c 7 Co 4c 3.00 .
3 Y 4c 8 Co 4c 6.75 .
3 Y 4c 9 Co 4c 6.78 .
3 Y 4c 10 Co 4c 3.43 .
3 Y 4c 11 Co 4c 2.30 .
3 Y 4c 12 Co 4c 6.19 .
3 Y 4c 13 Co 4c 7.07 .
3 Y 4c 14 Co 4c 1.14 .
3 Y 4c 15 Co 4c 5.04 .
3 Y 4c 16 Co 4c 6.04 .
3 Y 4c 17 Co 4c 6.00 .
3 Y 4c 18 Co 4c 5.09 .
3 Y 4c 19 Co 4c 1.09 .
3 Y 4c 20 Co 4c 7.37 .
3 Y 4c 21 Co 4c 6.19 .
3 Y 4c 22 Co 4c 3.23 .
3 Y 4c 23 Co 4c 2.39 .
3 Y 4c 24 Co 4c 6.97 .
3 Y 4c 25 P 4c 6.81 .
3 Y 4c 26 P 4c 2.05 .
3 Y 4c 27 P 4c 4.24 .
3 Y 4c 28 P 4c 6.17 .
3 Y 4c 29 P 4c 5.96 .
3 Y 4c 30 P 4c 3.65 .
3 Y 4c 31 P 4c 2.06 .
3 Y 4c 32 P 4c 7.35 .
3 Y 4c 33 P 4c 7.41 .
3 Y 4c 34 P 4c 2.25 .
3 Y 4c 35 P 4c 3.20 .
3 Y 4c 36 P 4c 5.99 .
4 Y 4c 5 Co 4c 2.30 .
4 Y 4c 6 Co 4c 6.34 .
4 Y 4c 7 Co 4c 6.75 .
4 Y 4c 8 Co 4c 3.00 .
4 Y 4c 9 Co 4c 3.43 .
4 Y 4c 10 Co 4c 6.78 .
4 Y 4c 11 Co 4c 6.19 .
4 Y 4c 12 Co 4c 2.30 .
4 Y 4c 13 Co 4c 1.14 .
4 Y 4c 14 Co 4c 7.07 .
4 Y 4c 15 Co 4c 6.04 .
4 Y 4c 16 Co 4c 5.04 .
4 Y 4c 17 Co 4c 5.09 .
4 Y 4c 18 Co 4c 6.00 .
4 Y 4c 19 Co 4c 7.37 .
4 Y 4c 20 Co 4c 1.09 .
4 Y 4c 21 Co 4c 3.23 .
4 Y 4c 22 Co 4c 6.19 .
4 Y 4c 23 Co 4c 6.97 .
4 Y 4c 24 Co 4c 2.39 .
4 Y 4c 25 P 4c 2.05 .
4 Y 4c 26 P 4c 6.81 .
4 Y 4c 27 P 4c 6.17 .
4 Y 4c 28 P 4c 4.24 .
4 Y 4c 29 P 4c 3.65 .
4 Y 4c 30 P 4c 5.96 .
4 Y 4c 31 P 4c 7.35 .
4 Y 4c 32 P 4c 2.06 .
4 Y 4c 33 P 4c 2.25 .
4 Y 4c 34 P 4c 7.41 .
4 Y 4c 35 P 4c 5.99 .
4 Y 4c 36 P 4c 3.20 .
5 Co 4c 6 Co 4c 6.08 .
5 Co 4c 7 Co 4c 7.89 .
5 Co 4c 8 Co 4c 5.14 .
5 Co 4c 9 Co 4c 5.23 .
5 Co 4c 10 Co 4c 7.67 .
5 Co 4c 11 Co 4c 5.92 .
5 Co 4c 12 Co 4c 1.38 .
5 Co 4c 13 Co 4c 2.63 .
5 Co 4c 14 Co 4c 6.12 .
5 Co 4c 15 Co 4c 6.79 .
5 Co 4c 16 Co 4c 3.60 .
5 Co 4c 17 Co 4c 3.07 .
5 Co 4c 18 Co 4c 6.84 .
5 Co 4c 19 Co 4c 6.30 .
5 Co 4c 20 Co 4c 2.16 .
5 Co 4c 21 Co 4c 1.09 .
5 Co 4c 22 Co 4c 5.96 .
5 Co 4c 23 Co 4c 7.36 .
5 Co 4c 24 Co 4c 4.68 .
5 Co 4c 25 P 4c 1.65 .
5 Co 4c 26 P 4c 5.98 .
5 Co 4c 27 P 4c 7.19 .
5 Co 4c 28 P 4c 4.12 .
5 Co 4c 29 P 4c 2.04 .
5 Co 4c 30 P 4c 6.04 .
5 Co 4c 31 P 4c 6.95 .
5 Co 4c 32 P 4c 4.28 .
5 Co 4c 33 P 4c 4.14 .
5 Co 4c 34 P 4c 7.16 .
5 Co 4c 35 P 4c 6.16 .
5 Co 4c 36 P 4c 1.22 .
6 Co 4c 7 Co 4c 5.14 .
6 Co 4c 8 Co 4c 7.89 .
6 Co 4c 9 Co 4c 7.67 .
6 Co 4c 10 Co 4c 5.23 .
6 Co 4c 11 Co 4c 1.38 .
6 Co 4c 12 Co 4c 5.92 .
6 Co 4c 13 Co 4c 6.12 .
6 Co 4c 14 Co 4c 2.63 .
6 Co 4c 15 Co 4c 3.60 .
6 Co 4c 16 Co 4c 6.79 .
6 Co 4c 17 Co 4c 6.84 .
6 Co 4c 18 Co 4c 3.07 .
6 Co 4c 19 Co 4c 2.16 .
6 Co 4c 20 Co 4c 6.30 .
6 Co 4c 21 Co 4c 5.96 .
6 Co 4c 22 Co 4c 1.09 .
6 Co 4c 23 Co 4c 4.68 .
6 Co 4c 24 Co 4c 7.36 .
6 Co 4c 25 P 4c 5.98 .
6 Co 4c 26 P 4c 1.65 .
6 Co 4c 27 P 4c 4.12 .
6 Co 4c 28 P 4c 7.19 .
6 Co 4c 29 P 4c 6.04 .
6 Co 4c 30 P 4c 2.04 .
6 Co 4c 31 P 4c 4.28 .
6 Co 4c 32 P 4c 6.95 .
6 Co 4c 33 P 4c 7.16 .
6 Co 4c 34 P 4c 4.14 .
6 Co 4c 35 P 4c 1.22 .
6 Co 4c 36 P 4c 6.16 .
7 Co 4c 8 Co 4c 6.08 .
7 Co 4c 9 Co 4c 5.92 .
7 Co 4c 10 Co 4c 1.38 .
7 Co 4c 11 Co 4c 5.23 .
7 Co 4c 12 Co 4c 7.67 .
7 Co 4c 13 Co 4c 6.79 .
7 Co 4c 14 Co 4c 3.60 .
7 Co 4c 15 Co 4c 2.63 .
7 Co 4c 16 Co 4c 6.12 .
7 Co 4c 17 Co 4c 6.30 .
7 Co 4c 18 Co 4c 2.16 .
7 Co 4c 19 Co 4c 3.07 .
7 Co 4c 20 Co 4c 6.84 .
7 Co 4c 21 Co 4c 7.36 .
7 Co 4c 22 Co 4c 4.68 .
7 Co 4c 23 Co 4c 1.09 .
7 Co 4c 24 Co 4c 5.96 .
7 Co 4c 25 P 4c 7.19 .
7 Co 4c 26 P 4c 4.12 .
7 Co 4c 27 P 4c 1.65 .
7 Co 4c 28 P 4c 5.98 .
7 Co 4c 29 P 4c 6.95 .
7 Co 4c 30 P 4c 4.28 .
7 Co 4c 31 P 4c 2.04 .
7 Co 4c 32 P 4c 6.04 .
7 Co 4c 33 P 4c 6.16 .
7 Co 4c 34 P 4c 1.22 .
7 Co 4c 35 P 4c 4.14 .
7 Co 4c 36 P 4c 7.16 .
8 Co 4c 9 Co 4c 1.38 .
8 Co 4c 10 Co 4c 5.92 .
8 Co 4c 11 Co 4c 7.67 .
8 Co 4c 12 Co 4c 5.23 .
8 Co 4c 13 Co 4c 3.60 .
8 Co 4c 14 Co 4c 6.79 .
8 Co 4c 15 Co 4c 6.12 .
8 Co 4c 16 Co 4c 2.63 .
8 Co 4c 17 Co 4c 2.16 .
8 Co 4c 18 Co 4c 6.30 .
8 Co 4c 19 Co 4c 6.84 .
8 Co 4c 20 Co 4c 3.07 .
8 Co 4c 21 Co 4c 4.68 .
8 Co 4c 22 Co 4c 7.36 .
8 Co 4c 23 Co 4c 5.96 .
8 Co 4c 24 Co 4c 1.09 .
8 Co 4c 25 P 4c 4.12 .
8 Co 4c 26 P 4c 7.19 .
8 Co 4c 27 P 4c 5.98 .
8 Co 4c 28 P 4c 1.65 .
8 Co 4c 29 P 4c 4.28 .
8 Co 4c 30 P 4c 6.95 .
8 Co 4c 31 P 4c 6.04 .
8 Co 4c 32 P 4c 2.04 .
8 Co 4c 33 P 4c 1.22 .
8 Co 4c 34 P 4c 6.16 .
8 Co 4c 35 P 4c 7.16 .
8 Co 4c 36 P 4c 4.14 .
9 Co 4c 10 Co 4c 5.91 .
9 Co 4c 11 Co 4c 7.86 .
9 Co 4c 12 Co 4c 5.26 .
9 Co 4c 13 Co 4c 3.27 .
9 Co 4c 14 Co 4c 6.94 .
9 Co 4c 15 Co 4c 6.22 .
9 Co 4c 16 Co 4c 1.99 .
9 Co 4c 17 Co 4c 2.77 .
9 Co 4c 18 Co 4c 6.26 .
9 Co 4c 19 Co 4c 6.70 .
9 Co 4c 20 Co 4c 3.08 .
9 Co 4c 21 Co 4c 4.57 .
9 Co 4c 22 Co 4c 7.30 .
9 Co 4c 23 Co 4c 6.14 .
9 Co 4c 24 Co 4c 1.48 .
9 Co 4c 25 P 4c 3.87 .
9 Co 4c 26 P 4c 7.19 .
9 Co 4c 27 P 4c 6.22 .
9 Co 4c 28 P 4c 1.74 .
9 Co 4c 29 P 4c 3.96 .
9 Co 4c 30 P 4c 7.03 .
9 Co 4c 31 P 4c 6.19 .
9 Co 4c 32 P 4c 1.37 .
9 Co 4c 33 P 4c 1.22 .
9 Co 4c 34 P 4c 6.00 .
9 Co 4c 35 P 4c 7.14 .
9 Co 4c 36 P 4c 4.51 .
10 Co 4c 11 Co 4c 5.26 .
10 Co 4c 12 Co 4c 7.86 .
10 Co 4c 13 Co 4c 6.94 .
10 Co 4c 14 Co 4c 3.27 .
10 Co 4c 15 Co 4c 1.99 .
10 Co 4c 16 Co 4c 6.22 .
10 Co 4c 17 Co 4c 6.26 .
10 Co 4c 18 Co 4c 2.77 .
10 Co 4c 19 Co 4c 3.08 .
10 Co 4c 20 Co 4c 6.70 .
10 Co 4c 21 Co 4c 7.30 .
10 Co 4c 22 Co 4c 4.57 .
10 Co 4c 23 Co 4c 1.48 .
10 Co 4c 24 Co 4c 6.14 .
10 Co 4c 25 P 4c 7.19 .
10 Co 4c 26 P 4c 3.87 .
10 Co 4c 27 P 4c 1.74 .
10 Co 4c 28 P 4c 6.22 .
10 Co 4c 29 P 4c 7.03 .
10 Co 4c 30 P 4c 3.96 .
10 Co 4c 31 P 4c 1.37 .
10 Co 4c 32 P 4c 6.19 .
10 Co 4c 33 P 4c 6.00 .
10 Co 4c 34 P 4c 1.22 .
10 Co 4c 35 P 4c 4.51 .
10 Co 4c 36 P 4c 7.14 .
11 Co 4c 12 Co 4c 5.91 .
11 Co 4c 13 Co 4c 6.22 .
11 Co 4c 14 Co 4c 1.99 .
11 Co 4c 15 Co 4c 3.27 .
11 Co 4c 16 Co 4c 6.94 .
11 Co 4c 17 Co 4c 6.70 .
11 Co 4c 18 Co 4c 3.08 .
11 Co 4c 19 Co 4c 2.77 .
11 Co 4c 20 Co 4c 6.26 .
11 Co 4c 21 Co 4c 6.14 .
11 Co 4c 22 Co 4c 1.48 .
11 Co 4c 23 Co 4c 4.57 .
11 Co 4c 24 Co 4c 7.30 .
11 Co 4c 25 P 4c 6.22 .
11 Co 4c 26 P 4c 1.74 .
11 Co 4c 27 P 4c 3.87 .
11 Co 4c 28 P 4c 7.19 .
11 Co 4c 29 P 4c 6.19 .
11 Co 4c 30 P 4c 1.37 .
11 Co 4c 31 P 4c 3.96 .
11 Co 4c 32 P 4c 7.03 .
11 Co 4c 33 P 4c 7.14 .
11 Co 4c 34 P 4c 4.51 .
11 Co 4c 35 P 4c 1.22 .
11 Co 4c 36 P 4c 6.00 .
12 Co 4c 13 Co 4c 1.99 .
12 Co 4c 14 Co 4c 6.22 .
12 Co 4c 15 Co 4c 6.94 .
12 Co 4c 16 Co 4c 3.27 .
12 Co 4c 17 Co 4c 3.08 .
12 Co 4c 18 Co 4c 6.70 .
12 Co 4c 19 Co 4c 6.26 .
12 Co 4c 20 Co 4c 2.77 .
12 Co 4c 21 Co 4c 1.48 .
12 Co 4c 22 Co 4c 6.14 .
12 Co 4c 23 Co 4c 7.30 .
12 Co 4c 24 Co 4c 4.57 .
12 Co 4c 25 P 4c 1.74 .
12 Co 4c 26 P 4c 6.22 .
12 Co 4c 27 P 4c 7.19 .
12 Co 4c 28 P 4c 3.87 .
12 Co 4c 29 P 4c 1.37 .
12 Co 4c 30 P 4c 6.19 .
12 Co 4c 31 P 4c 7.03 .
12 Co 4c 32 P 4c 3.96 .
12 Co 4c 33 P 4c 4.51 .
12 Co 4c 34 P 4c 7.14 .
12 Co 4c 35 P 4c 6.00 .
12 Co 4c 36 P 4c 1.22 .
13 Co 4c 14 Co 4c 7.09 .
13 Co 4c 15 Co 4c 6.33 .
13 Co 4c 16 Co 4c 5.14 .
13 Co 4c 17 Co 4c 5.07 .
13 Co 4c 18 Co 4c 6.02 .
13 Co 4c 19 Co 4c 7.05 .
13 Co 4c 20 Co 4c 1.46 .
13 Co 4c 21 Co 4c 2.67 .
13 Co 4c 22 Co 4c 6.08 .
13 Co 4c 23 Co 4c 7.18 .
13 Co 4c 24 Co 4c 2.71 .
13 Co 4c 25 P 4c 0.98 .
13 Co 4c 26 P 4c 6.71 .
13 Co 4c 27 P 4c 6.36 .
13 Co 4c 28 P 4c 4.50 .
13 Co 4c 29 P 4c 3.15 .
13 Co 4c 30 P 4c 6.16 .
13 Co 4c 31 P 4c 7.67 .
13 Co 4c 32 P 4c 1.99 .
13 Co 4c 33 P 4c 2.61 .
13 Co 4c 34 P 4c 7.39 .
13 Co 4c 35 P 4c 5.93 .
13 Co 4c 36 P 4c 3.16 .
14 Co 4c 15 Co 4c 5.14 .
14 Co 4c 16 Co 4c 6.33 .
14 Co 4c 17 Co 4c 6.02 .
14 Co 4c 18 Co 4c 5.07 .
14 Co 4c 19 Co 4c 1.46 .
14 Co 4c 20 Co 4c 7.05 .
14 Co 4c 21 Co 4c 6.08 .
14 Co 4c 22 Co 4c 2.67 .
14 Co 4c 23 Co 4c 2.71 .
14 Co 4c 24 Co 4c 7.18 .
14 Co 4c 25 P 4c 6.71 .
14 Co 4c 26 P 4c 0.98 .
14 Co 4c 27 P 4c 4.50 .
14 Co 4c 28 P 4c 6.36 .
14 Co 4c 29 P 4c 6.16 .
14 Co 4c 30 P 4c 3.15 .
14 Co 4c 31 P 4c 1.99 .
14 Co 4c 32 P 4c 7.67 .
14 Co 4c 33 P 4c 7.39 .
14 Co 4c 34 P 4c 2.61 .
14 Co 4c 35 P 4c 3.16 .
14 Co 4c 36 P 4c 5.93 .
15 Co 4c 16 Co 4c 7.09 .
15 Co 4c 17 Co 4c 7.05 .
15 Co 4c 18 Co 4c 1.46 .
15 Co 4c 19 Co 4c 5.07 .
15 Co 4c 20 Co 4c 6.02 .
15 Co 4c 21 Co 4c 7.18 .
15 Co 4c 22 Co 4c 2.71 .
15 Co 4c 23 Co 4c 2.67 .
15 Co 4c 24 Co 4c 6.08 .
15 Co 4c 25 P 4c 6.36 .
15 Co 4c 26 P 4c 4.50 .
15 Co 4c 27 P 4c 0.98 .
15 Co 4c 28 P 4c 6.71 .
15 Co 4c 29 P 4c 7.67 .
15 Co 4c 30 P 4c 1.99 .
15 Co 4c 31 P 4c 3.15 .
15 Co 4c 32 P 4c 6.16 .
15 Co 4c 33 P 4c 5.93 .
15 Co 4c 34 P 4c 3.16 .
15 Co 4c 35 P 4c 2.61 .
15 Co 4c 36 P 4c 7.39 .
16 Co 4c 17 Co 4c 1.46 .
16 Co 4c 18 Co 4c 7.05 .
16 Co 4c 19 Co 4c 6.02 .
16 Co 4c 20 Co 4c 5.07 .
16 Co 4c 21 Co 4c 2.71 .
16 Co 4c 22 Co 4c 7.18 .
16 Co 4c 23 Co 4c 6.08 .
16 Co 4c 24 Co 4c 2.67 .
16 Co 4c 25 P 4c 4.50 .
16 Co 4c 26 P 4c 6.36 .
16 Co 4c 27 P 4c 6.71 .
16 Co 4c 28 P 4c 0.98 .
16 Co 4c 29 P 4c 1.99 .
16 Co 4c 30 P 4c 7.67 .
16 Co 4c 31 P 4c 6.16 .
16 Co 4c 32 P 4c 3.15 .
16 Co 4c 33 P 4c 3.16 .
16 Co 4c 34 P 4c 5.93 .
16 Co 4c 35 P 4c 7.39 .
16 Co 4c 36 P 4c 2.61 .
17 Co 4c 18 Co 4c 7.20 .
17 Co 4c 19 Co 4c 6.24 .
17 Co 4c 20 Co 4c 5.23 .
17 Co 4c 21 Co 4c 2.84 .
17 Co 4c 22 Co 4c 7.11 .
17 Co 4c 23 Co 4c 6.03 .
17 Co 4c 24 Co 4c 2.79 .
17 Co 4c 25 P 4c 4.57 .
17 Co 4c 26 P 4c 6.28 .
17 Co 4c 27 P 4c 6.68 .
17 Co 4c 28 P 4c 1.15 .
17 Co 4c 29 P 4c 2.27 .
17 Co 4c 30 P 4c 7.38 .
17 Co 4c 31 P 4c 5.93 .
17 Co 4c 32 P 4c 3.60 .
17 Co 4c 33 P 4c 3.32 .
17 Co 4c 34 P 4c 6.20 .
17 Co 4c 35 P 4c 7.27 .
17 Co 4c 36 P 4c 1.98 .
18 Co 4c 19 Co 4c 5.23 .
18 Co 4c 20 Co 4c 6.24 .
18 Co 4c 21 Co 4c 7.11 .
18 Co 4c 22 Co 4c 2.84 .
18 Co 4c 23 Co 4c 2.79 .
18 Co 4c 24 Co 4c 6.03 .
18 Co 4c 25 P 4c 6.28 .
18 Co 4c 26 P 4c 4.57 .
18 Co 4c 27 P 4c 1.15 .
18 Co 4c 28 P 4c 6.68 .
18 Co 4c 29 P 4c 7.38 .
18 Co 4c 30 P 4c 2.27 .
18 Co 4c 31 P 4c 3.60 .
18 Co 4c 32 P 4c 5.93 .
18 Co 4c 33 P 4c 6.20 .
18 Co 4c 34 P 4c 3.32 .
18 Co 4c 35 P 4c 1.98 .
18 Co 4c 36 P 4c 7.27 .
19 Co 4c 20 Co 4c 7.20 .
19 Co 4c 21 Co 4c 6.03 .
19 Co 4c 22 Co 4c 2.79 .
19 Co 4c 23 Co 4c 2.84 .
19 Co 4c 24 Co 4c 7.11 .
19 Co 4c 25 P 4c 6.68 .
19 Co 4c 26 P 4c 1.15 .
19 Co 4c 27 P 4c 4.57 .
19 Co 4c 28 P 4c 6.28 .
19 Co 4c 29 P 4c 5.93 .
19 Co 4c 30 P 4c 3.60 .
19 Co 4c 31 P 4c 2.27 .
19 Co 4c 32 P 4c 7.38 .
19 Co 4c 33 P 4c 7.27 .
19 Co 4c 34 P 4c 1.98 .
19 Co 4c 35 P 4c 3.32 .
19 Co 4c 36 P 4c 6.20 .
20 Co 4c 21 Co 4c 2.79 .
20 Co 4c 22 Co 4c 6.03 .
20 Co 4c 23 Co 4c 7.11 .
20 Co 4c 24 Co 4c 2.84 .
20 Co 4c 25 P 4c 1.15 .
20 Co 4c 26 P 4c 6.68 .
20 Co 4c 27 P 4c 6.28 .
20 Co 4c 28 P 4c 4.57 .
20 Co 4c 29 P 4c 3.60 .
20 Co 4c 30 P 4c 5.93 .
20 Co 4c 31 P 4c 7.38 .
20 Co 4c 32 P 4c 2.27 .
20 Co 4c 33 P 4c 1.98 .
20 Co 4c 34 P 4c 7.27 .
20 Co 4c 35 P 4c 6.20 .
20 Co 4c 36 P 4c 3.32 .
21 Co 4c 22 Co 4c 6.04 .
21 Co 4c 23 Co 4c 7.20 .
21 Co 4c 24 Co 4c 5.38 .
21 Co 4c 25 P 4c 1.86 .
21 Co 4c 26 P 4c 5.90 .
21 Co 4c 27 P 4c 7.69 .
21 Co 4c 28 P 4c 3.58 .
21 Co 4c 29 P 4c 0.96 .
21 Co 4c 30 P 4c 6.28 .
21 Co 4c 31 P 4c 6.73 .
21 Co 4c 32 P 4c 4.59 .
21 Co 4c 33 P 4c 4.75 .
21 Co 4c 34 P 4c 6.75 .
21 Co 4c 35 P 4c 6.29 .
21 Co 4c 36 P 4c 1.62 .
22 Co 4c 23 Co 4c 5.38 .
22 Co 4c 24 Co 4c 7.20 .
22 Co 4c 25 P 4c 5.90 .
22 Co 4c 26 P 4c 1.86 .
22 Co 4c 27 P 4c 3.58 .
22 Co 4c 28 P 4c 7.69 .
22 Co 4c 29 P 4c 6.28 .
22 Co 4c 30 P 4c 0.96 .
22 Co 4c 31 P 4c 4.59 .
22 Co 4c 32 P 4c 6.73 .
22 Co 4c 33 P 4c 6.75 .
22 Co 4c 34 P 4c 4.75 .
22 Co 4c 35 P 4c 1.62 .
22 Co 4c 36 P 4c 6.29 .
23 Co 4c 24 Co 4c 6.04 .
23 Co 4c 25 P 4c 7.69 .
23 Co 4c 26 P 4c 3.58 .
23 Co 4c 27 P 4c 1.86 .
23 Co 4c 28 P 4c 5.90 .
23 Co 4c 29 P 4c 6.73 .
23 Co 4c 30 P 4c 4.59 .
23 Co 4c 31 P 4c 0.96 .
23 Co 4c 32 P 4c 6.28 .
23 Co 4c 33 P 4c 6.29 .
23 Co 4c 34 P 4c 1.62 .
23 Co 4c 35 P 4c 4.75 .
23 Co 4c 36 P 4c 6.75 .
24 Co 4c 25 P 4c 3.58 .
24 Co 4c 26 P 4c 7.69 .
24 Co 4c 27 P 4c 5.90 .
24 Co 4c 28 P 4c 1.86 .
24 Co 4c 29 P 4c 4.59 .
24 Co 4c 30 P 4c 6.73 .
24 Co 4c 31 P 4c 6.28 .
24 Co 4c 32 P 4c 0.96 .
24 Co 4c 33 P 4c 1.62 .
24 Co 4c 34 P 4c 6.29 .
24 Co 4c 35 P 4c 6.75 .
24 Co 4c 36 P 4c 4.75 .
25 P 4c 26 P 4c 6.33 .
25 P 4c 27 P 4c 6.77 .
25 P 4c 28 P 4c 5.28 .
25 P 4c 29 P 4c 2.54 .
25 P 4c 30 P 4c 5.98 .
25 P 4c 31 P 4c 7.79 .
25 P 4c 32 P 4c 2.75 .
25 P 4c 33 P 4c 2.95 .
25 P 4c 34 P 4c 7.78 .
25 P 4c 35 P 4c 5.98 .
25 P 4c 36 P 4c 2.86 .
26 P 4c 27 P 4c 5.28 .
26 P 4c 28 P 4c 6.77 .
26 P 4c 29 P 4c 5.98 .
26 P 4c 30 P 4c 2.54 .
26 P 4c 31 P 4c 2.75 .
26 P 4c 32 P 4c 7.79 .
26 P 4c 33 P 4c 7.78 .
26 P 4c 34 P 4c 2.95 .
26 P 4c 35 P 4c 2.86 .
26 P 4c 36 P 4c 5.98 .
27 P 4c 28 P 4c 6.33 .
27 P 4c 29 P 4c 7.79 .
27 P 4c 30 P 4c 2.75 .
27 P 4c 31 P 4c 2.54 .
27 P 4c 32 P 4c 5.98 .
27 P 4c 33 P 4c 5.98 .
27 P 4c 34 P 4c 2.86 .
27 P 4c 35 P 4c 2.95 .
27 P 4c 36 P 4c 7.78 .
28 P 4c 29 P 4c 2.75 .
28 P 4c 30 P 4c 7.79 .
28 P 4c 31 P 4c 5.98 .
28 P 4c 32 P 4c 2.54 .
28 P 4c 33 P 4c 2.86 .
28 P 4c 34 P 4c 5.98 .
28 P 4c 35 P 4c 7.78 .
28 P 4c 36 P 4c 2.95 .
29 P 4c 30 P 4c 6.66 .
29 P 4c 31 P 4c 6.63 .
29 P 4c 32 P 4c 5.14 .
29 P 4c 33 P 4c 5.07 .
29 P 4c 34 P 4c 6.47 .
29 P 4c 35 P 4c 6.39 .
29 P 4c 36 P 4c 1.38 .
30 P 4c 31 P 4c 5.14 .
30 P 4c 32 P 4c 6.63 .
30 P 4c 33 P 4c 6.47 .
30 P 4c 34 P 4c 5.07 .
30 P 4c 35 P 4c 1.38 .
30 P 4c 36 P 4c 6.39 .
31 P 4c 32 P 4c 6.66 .
31 P 4c 33 P 4c 6.39 .
31 P 4c 34 P 4c 1.38 .
31 P 4c 35 P 4c 5.07 .
31 P 4c 36 P 4c 6.47 .
32 P 4c 33 P 4c 1.38 .
32 P 4c 34 P 4c 6.39 .
32 P 4c 35 P 4c 6.47 .
32 P 4c 36 P 4c 5.07 .
33 P 4c 34 P 4c 6.32 .
33 P 4c 35 P 4c 6.80 .
33 P 4c 36 P 4c 5.25 .
34 P 4c 35 P 4c 5.25 .
34 P 4c 36 P 4c 6.80 .
35 P 4c 36 P 4c 6.32 .
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-505011
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