Material:

Mn31Si11P

ID:

MMD-2931

Explore database:

Compounds with the same formula: Mn31Si11P (1 entry found)
Compounds with the same elements: Mn-Si-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

trigonal

Space group number

143

Hermann-Mauguin

P3

Hall

P 3

Point group

3

Structure data:

Normalized formula

Mn31Si11P

The number of formula units per unit cell

1

The total number of atoms per unit cell

43

The number of inequivalent sites per unit cell

23

Structure search

MP

Lattice parameters:

a (Å)

6.8459

b (Å)

6.8459

c (Å)

12.3692

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

120.000

Volume (Å3)

502.030

Density (g/cm3)

6.758

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-220.8 meV/atom

Formation energy above hull

Phase diagram:

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

Related structures:

Compounds with the same formula: Mn31Si11P

1 entry found

Compounds with the same elements: Mn-Si-P

3 entries found

Binary compounds in Mn-Si system

11 entries found

Binary compounds in Mn-P system

11 entries found

Binary compounds in Si-P system

No entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

38.68 μB/cell

Averaged magnetic moment

0.90 μB/atom

Magnetic polarization, Js = μ0Ms

0.90 T (= 716.2 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 Mn 1b 0.333333 0.666667 0.909856 -0.29 . .
2 Mn 1b 0.333333 0.666667 0.085850 -0.39 . .
3 Mn 3d 0.664781 0.646258 0.693204 1.12 . .
4 Mn 3d 0.981476 0.335219 0.693204 1.12 . .
5 Mn 3d 0.353742 0.018524 0.693204 1.12 . .
6 Mn 3d 0.009581 0.316497 0.308359 1.19 . .
7 Mn 3d 0.306916 0.990419 0.308359 1.19 . .
8 Mn 3d 0.683503 0.693084 0.308359 1.19 . .
9 Mn 3d 0.672688 0.610126 0.898444 1.51 . .
10 Mn 3d 0.937438 0.327312 0.898444 1.51 . .
11 Mn 3d 0.389874 0.062562 0.898444 1.51 . .
12 Mn 3d 0.990389 0.270253 0.102258 1.49 . .
13 Mn 3d 0.279865 0.009611 0.102258 1.49 . .
14 Mn 3d 0.729747 0.720135 0.102258 1.49 . .
15 Mn 3d 0.039241 0.706071 0.804263 0.55 . .
16 Mn 3d 0.666830 0.960759 0.804263 0.55 . .
17 Mn 3d 0.293929 0.333170 0.804263 0.55 . .
18 Mn 3d 0.626158 0.998134 0.195196 0.93 . .
19 Mn 3d 0.371976 0.373842 0.195196 0.93 . .
20 Mn 3d 0.001866 0.628024 0.195196 0.93 . .
21 Mn 1b 0.333333 0.666667 0.498540 2.18 . .
22 Mn 1a 0.000000 0.000000 0.924303 1.00 . .
23 Mn 1c 0.666667 0.333333 0.073109 0.71 . .
24 Mn 1a 0.000000 0.000000 0.427698 1.47 . .
25 Mn 1c 0.666667 0.333333 0.571873 1.51 . .
26 Mn 3d 0.017746 0.704640 0.601786 1.70 . .
27 Mn 3d 0.686894 0.982254 0.601786 1.70 . .
28 Mn 3d 0.295360 0.313106 0.601786 1.70 . .
29 Mn 3d 0.649354 0.019014 0.397815 1.54 . .
30 Mn 3d 0.369660 0.350646 0.397815 1.54 . .
31 Mn 3d 0.980986 0.630340 0.397815 1.54 . .
32 Si 3d 0.684462 0.665189 0.499975 -0.06 . .
33 Si 3d 0.980727 0.315538 0.499975 -0.06 . .
34 Si 3d 0.334811 0.019273 0.499975 -0.06 . .
35 Si 1a 0.000000 0.000000 0.231804 -0.04 . .
36 Si 1c 0.666667 0.333333 0.767697 -0.03 . .
37 Si 3d 0.014736 0.670544 0.999225 -0.04 . .
38 Si 3d 0.655808 0.985264 0.999225 -0.04 . .
39 Si 3d 0.329456 0.344192 0.999225 -0.04 . .
40 Si 1b 0.333333 0.666667 0.707871 -0.03 . .
41 Si 1b 0.333333 0.666667 0.291028 -0.03 . .
42 Si 1c 0.666667 0.333333 0.277481 -0.03 . .
43 P 1a 0.000000 0.000000 0.731280 -0.03 . .
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 Mn 1b 2 Mn 1b 2.18 .
1 Mn 1b 3 Mn 3d 3.56 .
1 Mn 1b 4 Mn 3d 3.56 .
1 Mn 1b 5 Mn 3d 3.56 .
1 Mn 1b 6 Mn 3d 5.44 .
1 Mn 1b 7 Mn 3d 5.44 .
1 Mn 1b 8 Mn 3d 5.44 .
1 Mn 1b 9 Mn 3d 2.54 .
1 Mn 1b 10 Mn 3d 2.54 .
1 Mn 1b 11 Mn 3d 2.54 .
1 Mn 1b 12 Mn 3d 3.49 .
1 Mn 1b 13 Mn 3d 3.49 .
1 Mn 1b 14 Mn 3d 3.49 .
1 Mn 1b 15 Mn 3d 2.52 .
1 Mn 1b 16 Mn 3d 2.52 .
1 Mn 1b 17 Mn 3d 2.52 .
1 Mn 1b 18 Mn 3d 4.13 .
1 Mn 1b 19 Mn 3d 4.13 .
1 Mn 1b 20 Mn 3d 4.13 .
1 Mn 1b 21 Mn 1b 5.09 .
1 Mn 1b 22 Mn 1a 3.96 .
1 Mn 1b 23 Mn 1c 4.44 .
1 Mn 1b 24 Mn 1a 7.15 .
1 Mn 1b 25 Mn 1c 5.75 .
1 Mn 1b 26 Mn 3d 4.45 .
1 Mn 1b 27 Mn 3d 4.45 .
1 Mn 1b 28 Mn 3d 4.45 .
1 Mn 1b 29 Mn 3d 6.46 .
1 Mn 1b 30 Mn 3d 6.46 .
1 Mn 1b 31 Mn 3d 6.46 .
1 Mn 1b 32 Si 3d 5.61 .
1 Mn 1b 33 Si 3d 5.61 .
1 Mn 1b 34 Si 3d 5.61 .
1 Mn 1b 35 Si 1a 5.61 .
1 Mn 1b 36 Si 1c 4.33 .
1 Mn 1b 37 Si 3d 2.46 .
1 Mn 1b 38 Si 3d 2.46 .
1 Mn 1b 39 Si 3d 2.46 .
1 Mn 1b 40 Si 1b 2.50 .
1 Mn 1b 41 Si 1b 4.71 .
1 Mn 1b 42 Si 1c 6.02 .
1 Mn 1b 43 P 1a 4.53 .
2 Mn 1b 3 Mn 3d 5.39 .
2 Mn 1b 4 Mn 3d 5.39 .
2 Mn 1b 5 Mn 3d 5.39 .
2 Mn 1b 6 Mn 3d 3.59 .
2 Mn 1b 7 Mn 3d 3.59 .
2 Mn 1b 8 Mn 3d 3.59 .
2 Mn 1b 9 Mn 3d 3.44 .
2 Mn 1b 10 Mn 3d 3.44 .
2 Mn 1b 11 Mn 3d 3.44 .
2 Mn 1b 12 Mn 3d 2.56 .
2 Mn 1b 13 Mn 3d 2.56 .
2 Mn 1b 14 Mn 3d 2.56 .
2 Mn 1b 15 Mn 3d 4.10 .
2 Mn 1b 16 Mn 3d 4.10 .
2 Mn 1b 17 Mn 3d 4.10 .
2 Mn 1b 18 Mn 3d 2.54 .
2 Mn 1b 19 Mn 3d 2.54 .
2 Mn 1b 20 Mn 3d 2.54 .
2 Mn 1b 21 Mn 1b 5.10 .
2 Mn 1b 22 Mn 1a 4.43 .
2 Mn 1b 23 Mn 1c 3.96 .
2 Mn 1b 24 Mn 1a 5.79 .
2 Mn 1b 25 Mn 1c 7.19 .
2 Mn 1b 26 Mn 3d 6.41 .
2 Mn 1b 27 Mn 3d 6.41 .
2 Mn 1b 28 Mn 3d 6.41 .
2 Mn 1b 29 Mn 3d 4.49 .
2 Mn 1b 30 Mn 3d 4.49 .
2 Mn 1b 31 Mn 3d 4.49 .
2 Mn 1b 32 Si 3d 5.66 .
2 Mn 1b 33 Si 3d 5.66 .
2 Mn 1b 34 Si 3d 5.66 .
2 Mn 1b 35 Si 1a 4.35 .
2 Mn 1b 36 Si 1c 5.58 .
2 Mn 1b 37 Si 3d 2.44 .
2 Mn 1b 38 Si 3d 2.44 .
2 Mn 1b 39 Si 3d 2.44 .
2 Mn 1b 40 Si 1b 4.68 .
2 Mn 1b 41 Si 1b 2.54 .
2 Mn 1b 42 Si 1c 4.61 .
2 Mn 1b 43 P 1a 5.90 .
3 Mn 3d 4 Mn 3d 3.72 .
3 Mn 3d 5 Mn 3d 3.72 .
3 Mn 3d 6 Mn 3d 6.14 .
3 Mn 3d 7 Mn 3d 6.10 .
3 Mn 3d 8 Mn 3d 4.77 .
3 Mn 3d 9 Mn 3d 2.55 .
3 Mn 3d 10 Mn 3d 4.33 .
3 Mn 3d 11 Mn 3d 4.29 .
3 Mn 3d 12 Mn 3d 6.27 .
3 Mn 3d 13 Mn 3d 6.25 .
3 Mn 3d 14 Mn 3d 5.08 .
3 Mn 3d 15 Mn 3d 2.75 .
3 Mn 3d 16 Mn 3d 2.55 .
3 Mn 3d 17 Mn 3d 2.74 .
3 Mn 3d 18 Mn 3d 6.67 .
3 Mn 3d 19 Mn 3d 6.46 .
3 Mn 3d 20 Mn 3d 6.60 .
3 Mn 3d 21 Mn 1b 3.36 .
3 Mn 3d 22 Mn 1a 3.71 .
3 Mn 3d 23 Mn 1c 5.17 .
3 Mn 3d 24 Mn 1a 4.04 .
3 Mn 3d 25 Mn 1c 2.62 .
3 Mn 3d 26 Mn 3d 2.51 .
3 Mn 3d 27 Mn 3d 2.50 .
3 Mn 3d 28 Mn 3d 2.67 .
3 Mn 3d 29 Mn 3d 4.49 .
3 Mn 3d 30 Mn 3d 4.18 .
3 Mn 3d 31 Mn 3d 4.28 .
3 Mn 3d 32 Si 3d 2.39 .
3 Mn 3d 33 Si 3d 4.52 .
3 Mn 3d 34 Si 3d 4.42 .
3 Mn 3d 35 Si 1a 6.18 .
3 Mn 3d 36 Si 1c 2.34 .
3 Mn 3d 37 Si 3d 4.44 .
3 Mn 3d 38 Si 3d 4.46 .
3 Mn 3d 39 Si 3d 4.37 .
3 Mn 3d 40 Si 1b 2.35 .
3 Mn 3d 41 Si 1b 5.50 .
3 Mn 3d 42 Si 1c 5.57 .
3 Mn 3d 43 P 1a 2.41 .
4 Mn 3d 5 Mn 3d 3.72 .
4 Mn 3d 6 Mn 3d 4.77 .
4 Mn 3d 7 Mn 3d 6.14 .
4 Mn 3d 8 Mn 3d 6.10 .
4 Mn 3d 9 Mn 3d 4.29 .
4 Mn 3d 10 Mn 3d 2.55 .
4 Mn 3d 11 Mn 3d 4.33 .
4 Mn 3d 12 Mn 3d 5.08 .
4 Mn 3d 13 Mn 3d 6.27 .
4 Mn 3d 14 Mn 3d 6.25 .
4 Mn 3d 15 Mn 3d 2.74 .
4 Mn 3d 16 Mn 3d 2.75 .
4 Mn 3d 17 Mn 3d 2.55 .
4 Mn 3d 18 Mn 3d 6.60 .
4 Mn 3d 19 Mn 3d 6.67 .
4 Mn 3d 20 Mn 3d 6.46 .
4 Mn 3d 21 Mn 1b 3.36 .
4 Mn 3d 22 Mn 1a 3.71 .
4 Mn 3d 23 Mn 1c 5.17 .
4 Mn 3d 24 Mn 1a 4.04 .
4 Mn 3d 25 Mn 1c 2.62 .
4 Mn 3d 26 Mn 3d 2.67 .
4 Mn 3d 27 Mn 3d 2.51 .
4 Mn 3d 28 Mn 3d 2.50 .
4 Mn 3d 29 Mn 3d 4.28 .
4 Mn 3d 30 Mn 3d 4.49 .
4 Mn 3d 31 Mn 3d 4.18 .
4 Mn 3d 32 Si 3d 4.42 .
4 Mn 3d 33 Si 3d 2.39 .
4 Mn 3d 34 Si 3d 4.52 .
4 Mn 3d 35 Si 1a 6.18 .
4 Mn 3d 36 Si 1c 2.34 .
4 Mn 3d 37 Si 3d 4.37 .
4 Mn 3d 38 Si 3d 4.44 .
4 Mn 3d 39 Si 3d 4.46 .
4 Mn 3d 40 Si 1b 2.35 .
4 Mn 3d 41 Si 1b 5.50 .
4 Mn 3d 42 Si 1c 5.57 .
4 Mn 3d 43 P 1a 2.41 .
5 Mn 3d 6 Mn 3d 6.10 .
5 Mn 3d 7 Mn 3d 4.77 .
5 Mn 3d 8 Mn 3d 6.14 .
5 Mn 3d 9 Mn 3d 4.33 .
5 Mn 3d 10 Mn 3d 4.29 .
5 Mn 3d 11 Mn 3d 2.55 .
5 Mn 3d 12 Mn 3d 6.25 .
5 Mn 3d 13 Mn 3d 5.08 .
5 Mn 3d 14 Mn 3d 6.27 .
5 Mn 3d 15 Mn 3d 2.55 .
5 Mn 3d 16 Mn 3d 2.74 .
5 Mn 3d 17 Mn 3d 2.75 .
5 Mn 3d 18 Mn 3d 6.46 .
5 Mn 3d 19 Mn 3d 6.60 .
5 Mn 3d 20 Mn 3d 6.67 .
5 Mn 3d 21 Mn 1b 3.36 .
5 Mn 3d 22 Mn 1a 3.71 .
5 Mn 3d 23 Mn 1c 5.17 .
5 Mn 3d 24 Mn 1a 4.04 .
5 Mn 3d 25 Mn 1c 2.62 .
5 Mn 3d 26 Mn 3d 2.50 .
5 Mn 3d 27 Mn 3d 2.67 .
5 Mn 3d 28 Mn 3d 2.51 .
5 Mn 3d 29 Mn 3d 4.18 .
5 Mn 3d 30 Mn 3d 4.28 .
5 Mn 3d 31 Mn 3d 4.49 .
5 Mn 3d 32 Si 3d 4.52 .
5 Mn 3d 33 Si 3d 4.42 .
5 Mn 3d 34 Si 3d 2.39 .
5 Mn 3d 35 Si 1a 6.18 .
5 Mn 3d 36 Si 1c 2.34 .
5 Mn 3d 37 Si 3d 4.46 .
5 Mn 3d 38 Si 3d 4.37 .
5 Mn 3d 39 Si 3d 4.44 .
5 Mn 3d 40 Si 1b 2.35 .
5 Mn 3d 41 Si 1b 5.50 .
5 Mn 3d 42 Si 1c 5.57 .
5 Mn 3d 43 P 1a 2.41 .
6 Mn 3d 7 Mn 3d 3.70 .
6 Mn 3d 8 Mn 3d 3.70 .
6 Mn 3d 9 Mn 3d 6.30 .
6 Mn 3d 10 Mn 3d 5.10 .
6 Mn 3d 11 Mn 3d 6.27 .
6 Mn 3d 12 Mn 3d 2.56 .
6 Mn 3d 13 Mn 3d 4.27 .
6 Mn 3d 14 Mn 3d 4.36 .
6 Mn 3d 15 Mn 3d 6.65 .
6 Mn 3d 16 Mn 3d 6.58 .
6 Mn 3d 17 Mn 3d 6.42 .
6 Mn 3d 18 Mn 3d 2.81 .
6 Mn 3d 19 Mn 3d 2.70 .
6 Mn 3d 20 Mn 3d 2.57 .
6 Mn 3d 21 Mn 1b 3.30 .
6 Mn 3d 22 Mn 1a 5.21 .
6 Mn 3d 23 Mn 1c 3.78 .
6 Mn 3d 24 Mn 1a 2.60 .
6 Mn 3d 25 Mn 1c 4.05 .
6 Mn 3d 26 Mn 3d 4.48 .
6 Mn 3d 27 Mn 3d 4.27 .
6 Mn 3d 28 Mn 3d 4.13 .
6 Mn 3d 29 Mn 3d 2.54 .
6 Mn 3d 30 Mn 3d 2.60 .
6 Mn 3d 31 Mn 3d 2.51 .
6 Mn 3d 32 Si 3d 4.53 .
6 Mn 3d 33 Si 3d 2.38 .
6 Mn 3d 34 Si 3d 4.39 .
6 Mn 3d 35 Si 1a 2.34 .
6 Mn 3d 36 Si 1c 6.17 .
6 Mn 3d 37 Si 3d 4.52 .
6 Mn 3d 38 Si 3d 4.49 .
6 Mn 3d 39 Si 3d 4.36 .
6 Mn 3d 40 Si 1b 5.46 .
6 Mn 3d 41 Si 1b 2.32 .
6 Mn 3d 42 Si 1c 2.44 .
6 Mn 3d 43 P 1a 5.65 .
7 Mn 3d 8 Mn 3d 3.70 .
7 Mn 3d 9 Mn 3d 6.27 .
7 Mn 3d 10 Mn 3d 6.30 .
7 Mn 3d 11 Mn 3d 5.10 .
7 Mn 3d 12 Mn 3d 4.36 .
7 Mn 3d 13 Mn 3d 2.56 .
7 Mn 3d 14 Mn 3d 4.27 .
7 Mn 3d 15 Mn 3d 6.42 .
7 Mn 3d 16 Mn 3d 6.65 .
7 Mn 3d 17 Mn 3d 6.58 .
7 Mn 3d 18 Mn 3d 2.57 .
7 Mn 3d 19 Mn 3d 2.81 .
7 Mn 3d 20 Mn 3d 2.70 .
7 Mn 3d 21 Mn 1b 3.30 .
7 Mn 3d 22 Mn 1a 5.21 .
7 Mn 3d 23 Mn 1c 3.78 .
7 Mn 3d 24 Mn 1a 2.60 .
7 Mn 3d 25 Mn 1c 4.05 .
7 Mn 3d 26 Mn 3d 4.13 .
7 Mn 3d 27 Mn 3d 4.48 .
7 Mn 3d 28 Mn 3d 4.27 .
7 Mn 3d 29 Mn 3d 2.51 .
7 Mn 3d 30 Mn 3d 2.54 .
7 Mn 3d 31 Mn 3d 2.60 .
7 Mn 3d 32 Si 3d 4.39 .
7 Mn 3d 33 Si 3d 4.53 .
7 Mn 3d 34 Si 3d 2.38 .
7 Mn 3d 35 Si 1a 2.34 .
7 Mn 3d 36 Si 1c 6.17 .
7 Mn 3d 37 Si 3d 4.36 .
7 Mn 3d 38 Si 3d 4.52 .
7 Mn 3d 39 Si 3d 4.49 .
7 Mn 3d 40 Si 1b 5.46 .
7 Mn 3d 41 Si 1b 2.32 .
7 Mn 3d 42 Si 1c 2.44 .
7 Mn 3d 43 P 1a 5.65 .
8 Mn 3d 9 Mn 3d 5.10 .
8 Mn 3d 10 Mn 3d 6.27 .
8 Mn 3d 11 Mn 3d 6.30 .
8 Mn 3d 12 Mn 3d 4.27 .
8 Mn 3d 13 Mn 3d 4.36 .
8 Mn 3d 14 Mn 3d 2.56 .
8 Mn 3d 15 Mn 3d 6.58 .
8 Mn 3d 16 Mn 3d 6.42 .
8 Mn 3d 17 Mn 3d 6.65 .
8 Mn 3d 18 Mn 3d 2.70 .
8 Mn 3d 19 Mn 3d 2.57 .
8 Mn 3d 20 Mn 3d 2.81 .
8 Mn 3d 21 Mn 1b 3.30 .
8 Mn 3d 22 Mn 1a 5.21 .
8 Mn 3d 23 Mn 1c 3.78 .
8 Mn 3d 24 Mn 1a 2.60 .
8 Mn 3d 25 Mn 1c 4.05 .
8 Mn 3d 26 Mn 3d 4.27 .
8 Mn 3d 27 Mn 3d 4.13 .
8 Mn 3d 28 Mn 3d 4.48 .
8 Mn 3d 29 Mn 3d 2.60 .
8 Mn 3d 30 Mn 3d 2.51 .
8 Mn 3d 31 Mn 3d 2.54 .
8 Mn 3d 32 Si 3d 2.38 .
8 Mn 3d 33 Si 3d 4.39 .
8 Mn 3d 34 Si 3d 4.53 .
8 Mn 3d 35 Si 1a 2.34 .
8 Mn 3d 36 Si 1c 6.17 .
8 Mn 3d 37 Si 3d 4.49 .
8 Mn 3d 38 Si 3d 4.36 .
8 Mn 3d 39 Si 3d 4.52 .
8 Mn 3d 40 Si 1b 5.46 .
8 Mn 3d 41 Si 1b 2.32 .
8 Mn 3d 42 Si 1c 2.44 .
8 Mn 3d 43 P 1a 5.65 .
9 Mn 3d 10 Mn 3d 3.25 .
9 Mn 3d 11 Mn 3d 3.25 .
9 Mn 3d 12 Mn 3d 4.64 .
9 Mn 3d 13 Mn 3d 4.41 .
9 Mn 3d 14 Mn 3d 2.60 .
9 Mn 3d 15 Mn 3d 2.54 .
9 Mn 3d 16 Mn 3d 2.69 .
9 Mn 3d 17 Mn 3d 2.60 .
9 Mn 3d 18 Mn 3d 4.63 .
9 Mn 3d 19 Mn 3d 4.12 .
9 Mn 3d 20 Mn 3d 4.28 .
9 Mn 3d 21 Mn 1b 5.56 .
9 Mn 3d 22 Mn 1a 2.50 .
9 Mn 3d 23 Mn 1c 2.86 .
9 Mn 3d 24 Mn 1a 6.33 .
9 Mn 3d 25 Mn 1c 4.45 .
9 Mn 3d 26 Mn 3d 4.23 .
9 Mn 3d 27 Mn 3d 4.44 .
9 Mn 3d 28 Mn 3d 4.36 .
9 Mn 3d 29 Mn 3d 6.82 .
9 Mn 3d 30 Mn 3d 6.48 .
9 Mn 3d 31 Mn 3d 6.51 .
9 Mn 3d 32 Si 3d 4.94 .
9 Mn 3d 33 Si 3d 6.09 .
9 Mn 3d 34 Si 3d 6.05 .
9 Mn 3d 35 Si 1a 4.81 .
9 Mn 3d 36 Si 1c 2.48 .
9 Mn 3d 37 Si 3d 2.50 .
9 Mn 3d 38 Si 3d 2.91 .
9 Mn 3d 39 Si 3d 2.47 .
9 Mn 3d 40 Si 1b 3.46 .
9 Mn 3d 41 Si 1b 5.48 .
9 Mn 3d 42 Si 1c 5.05 .
9 Mn 3d 43 P 1a 3.23 .
10 Mn 3d 11 Mn 3d 3.25 .
10 Mn 3d 12 Mn 3d 2.60 .
10 Mn 3d 13 Mn 3d 4.64 .
10 Mn 3d 14 Mn 3d 4.41 .
10 Mn 3d 15 Mn 3d 2.60 .
10 Mn 3d 16 Mn 3d 2.54 .
10 Mn 3d 17 Mn 3d 2.69 .
10 Mn 3d 18 Mn 3d 4.28 .
10 Mn 3d 19 Mn 3d 4.63 .
10 Mn 3d 20 Mn 3d 4.12 .
10 Mn 3d 21 Mn 1b 5.56 .
10 Mn 3d 22 Mn 1a 2.50 .
10 Mn 3d 23 Mn 1c 2.86 .
10 Mn 3d 24 Mn 1a 6.33 .
10 Mn 3d 25 Mn 1c 4.45 .
10 Mn 3d 26 Mn 3d 4.36 .
10 Mn 3d 27 Mn 3d 4.23 .
10 Mn 3d 28 Mn 3d 4.44 .
10 Mn 3d 29 Mn 3d 6.51 .
10 Mn 3d 30 Mn 3d 6.82 .
10 Mn 3d 31 Mn 3d 6.48 .
10 Mn 3d 32 Si 3d 6.05 .
10 Mn 3d 33 Si 3d 4.94 .
10 Mn 3d 34 Si 3d 6.09 .
10 Mn 3d 35 Si 1a 4.81 .
10 Mn 3d 36 Si 1c 2.48 .
10 Mn 3d 37 Si 3d 2.47 .
10 Mn 3d 38 Si 3d 2.50 .
10 Mn 3d 39 Si 3d 2.91 .
10 Mn 3d 40 Si 1b 3.46 .
10 Mn 3d 41 Si 1b 5.48 .
10 Mn 3d 42 Si 1c 5.05 .
10 Mn 3d 43 P 1a 3.23 .
11 Mn 3d 12 Mn 3d 4.41 .
11 Mn 3d 13 Mn 3d 2.60 .
11 Mn 3d 14 Mn 3d 4.64 .
11 Mn 3d 15 Mn 3d 2.69 .
11 Mn 3d 16 Mn 3d 2.60 .
11 Mn 3d 17 Mn 3d 2.54 .
11 Mn 3d 18 Mn 3d 4.12 .
11 Mn 3d 19 Mn 3d 4.28 .
11 Mn 3d 20 Mn 3d 4.63 .
11 Mn 3d 21 Mn 1b 5.56 .
11 Mn 3d 22 Mn 1a 2.50 .
11 Mn 3d 23 Mn 1c 2.86 .
11 Mn 3d 24 Mn 1a 6.33 .
11 Mn 3d 25 Mn 1c 4.45 .
11 Mn 3d 26 Mn 3d 4.44 .
11 Mn 3d 27 Mn 3d 4.36 .
11 Mn 3d 28 Mn 3d 4.23 .
11 Mn 3d 29 Mn 3d 6.48 .
11 Mn 3d 30 Mn 3d 6.51 .
11 Mn 3d 31 Mn 3d 6.82 .
11 Mn 3d 32 Si 3d 6.09 .
11 Mn 3d 33 Si 3d 6.05 .
11 Mn 3d 34 Si 3d 4.94 .
11 Mn 3d 35 Si 1a 4.81 .
11 Mn 3d 36 Si 1c 2.48 .
11 Mn 3d 37 Si 3d 2.91 .
11 Mn 3d 38 Si 3d 2.47 .
11 Mn 3d 39 Si 3d 2.50 .
11 Mn 3d 40 Si 1b 3.46 .
11 Mn 3d 41 Si 1b 5.48 .
11 Mn 3d 42 Si 1c 5.05 .
11 Mn 3d 43 P 1a 3.23 .
12 Mn 3d 13 Mn 3d 3.26 .
12 Mn 3d 14 Mn 3d 3.26 .
12 Mn 3d 15 Mn 3d 4.65 .
12 Mn 3d 16 Mn 3d 4.28 .
12 Mn 3d 17 Mn 3d 4.15 .
12 Mn 3d 18 Mn 3d 2.52 .
12 Mn 3d 19 Mn 3d 2.61 .
12 Mn 3d 20 Mn 3d 2.67 .
12 Mn 3d 21 Mn 1b 5.53 .
12 Mn 3d 22 Mn 1a 2.90 .
12 Mn 3d 23 Mn 1c 2.49 .
12 Mn 3d 24 Mn 1a 4.44 .
12 Mn 3d 25 Mn 1c 6.31 .
12 Mn 3d 26 Mn 3d 6.82 .
12 Mn 3d 27 Mn 3d 6.50 .
12 Mn 3d 28 Mn 3d 6.48 .
12 Mn 3d 29 Mn 3d 4.21 .
12 Mn 3d 30 Mn 3d 4.36 .
12 Mn 3d 31 Mn 3d 4.43 .
12 Mn 3d 32 Si 3d 6.09 .
12 Mn 3d 33 Si 3d 4.93 .
12 Mn 3d 34 Si 3d 6.06 .
12 Mn 3d 35 Si 1a 2.47 .
12 Mn 3d 36 Si 1c 4.81 .
12 Mn 3d 37 Si 3d 2.95 .
12 Mn 3d 38 Si 3d 2.49 .
12 Mn 3d 39 Si 3d 2.47 .
12 Mn 3d 40 Si 1b 5.50 .
12 Mn 3d 41 Si 1b 3.46 .
12 Mn 3d 42 Si 1c 3.28 .
12 Mn 3d 43 P 1a 4.96 .
13 Mn 3d 14 Mn 3d 3.26 .
13 Mn 3d 15 Mn 3d 4.15 .
13 Mn 3d 16 Mn 3d 4.65 .
13 Mn 3d 17 Mn 3d 4.28 .
13 Mn 3d 18 Mn 3d 2.67 .
13 Mn 3d 19 Mn 3d 2.52 .
13 Mn 3d 20 Mn 3d 2.61 .
13 Mn 3d 21 Mn 1b 5.53 .
13 Mn 3d 22 Mn 1a 2.90 .
13 Mn 3d 23 Mn 1c 2.49 .
13 Mn 3d 24 Mn 1a 4.44 .
13 Mn 3d 25 Mn 1c 6.31 .
13 Mn 3d 26 Mn 3d 6.48 .
13 Mn 3d 27 Mn 3d 6.82 .
13 Mn 3d 28 Mn 3d 6.50 .
13 Mn 3d 29 Mn 3d 4.43 .
13 Mn 3d 30 Mn 3d 4.21 .
13 Mn 3d 31 Mn 3d 4.36 .
13 Mn 3d 32 Si 3d 6.06 .
13 Mn 3d 33 Si 3d 6.09 .
13 Mn 3d 34 Si 3d 4.93 .
13 Mn 3d 35 Si 1a 2.47 .
13 Mn 3d 36 Si 1c 4.81 .
13 Mn 3d 37 Si 3d 2.47 .
13 Mn 3d 38 Si 3d 2.95 .
13 Mn 3d 39 Si 3d 2.49 .
13 Mn 3d 40 Si 1b 5.50 .
13 Mn 3d 41 Si 1b 3.46 .
13 Mn 3d 42 Si 1c 3.28 .
13 Mn 3d 43 P 1a 4.96 .
14 Mn 3d 15 Mn 3d 4.28 .
14 Mn 3d 16 Mn 3d 4.15 .
14 Mn 3d 17 Mn 3d 4.65 .
14 Mn 3d 18 Mn 3d 2.61 .
14 Mn 3d 19 Mn 3d 2.67 .
14 Mn 3d 20 Mn 3d 2.52 .
14 Mn 3d 21 Mn 1b 5.53 .
14 Mn 3d 22 Mn 1a 2.90 .
14 Mn 3d 23 Mn 1c 2.49 .
14 Mn 3d 24 Mn 1a 4.44 .
14 Mn 3d 25 Mn 1c 6.31 .
14 Mn 3d 26 Mn 3d 6.50 .
14 Mn 3d 27 Mn 3d 6.48 .
14 Mn 3d 28 Mn 3d 6.82 .
14 Mn 3d 29 Mn 3d 4.36 .
14 Mn 3d 30 Mn 3d 4.43 .
14 Mn 3d 31 Mn 3d 4.21 .
14 Mn 3d 32 Si 3d 4.93 .
14 Mn 3d 33 Si 3d 6.06 .
14 Mn 3d 34 Si 3d 6.09 .
14 Mn 3d 35 Si 1a 2.47 .
14 Mn 3d 36 Si 1c 4.81 .
14 Mn 3d 37 Si 3d 2.49 .
14 Mn 3d 38 Si 3d 2.47 .
14 Mn 3d 39 Si 3d 2.95 .
14 Mn 3d 40 Si 1b 5.50 .
14 Mn 3d 41 Si 1b 3.46 .
14 Mn 3d 42 Si 1c 3.28 .
14 Mn 3d 43 P 1a 4.96 .
15 Mn 3d 16 Mn 3d 3.74 .
15 Mn 3d 17 Mn 3d 3.74 .
15 Mn 3d 18 Mn 3d 5.96 .
15 Mn 3d 19 Mn 3d 6.24 .
15 Mn 3d 20 Mn 3d 4.86 .
15 Mn 3d 21 Mn 1b 4.36 .
15 Mn 3d 22 Mn 1a 2.62 .
15 Mn 3d 23 Mn 1c 4.19 .
15 Mn 3d 24 Mn 1a 5.13 .
15 Mn 3d 25 Mn 1c 3.84 .
15 Mn 3d 26 Mn 3d 2.51 .
15 Mn 3d 27 Mn 3d 4.50 .
15 Mn 3d 28 Mn 3d 4.40 .
15 Mn 3d 29 Mn 3d 6.19 .
15 Mn 3d 30 Mn 3d 6.32 .
15 Mn 3d 31 Mn 3d 5.05 .
15 Mn 3d 32 Si 3d 4.41 .
15 Mn 3d 33 Si 3d 4.52 .
15 Mn 3d 34 Si 3d 4.30 .
15 Mn 3d 35 Si 1a 5.71 .
15 Mn 3d 36 Si 1c 2.59 .
15 Mn 3d 37 Si 3d 2.42 .
15 Mn 3d 38 Si 3d 4.38 .
15 Mn 3d 39 Si 3d 4.49 .
15 Mn 3d 40 Si 1b 2.47 .
15 Mn 3d 41 Si 1b 6.40 .
15 Mn 3d 42 Si 1c 6.39 .
15 Mn 3d 43 P 1a 2.34 .
16 Mn 3d 17 Mn 3d 3.74 .
16 Mn 3d 18 Mn 3d 4.86 .
16 Mn 3d 19 Mn 3d 5.96 .
16 Mn 3d 20 Mn 3d 6.24 .
16 Mn 3d 21 Mn 1b 4.36 .
16 Mn 3d 22 Mn 1a 2.62 .
16 Mn 3d 23 Mn 1c 4.19 .
16 Mn 3d 24 Mn 1a 5.13 .
16 Mn 3d 25 Mn 1c 3.84 .
16 Mn 3d 26 Mn 3d 4.40 .
16 Mn 3d 27 Mn 3d 2.51 .
16 Mn 3d 28 Mn 3d 4.50 .
16 Mn 3d 29 Mn 3d 5.05 .
16 Mn 3d 30 Mn 3d 6.19 .
16 Mn 3d 31 Mn 3d 6.32 .
16 Mn 3d 32 Si 3d 4.30 .
16 Mn 3d 33 Si 3d 4.41 .
16 Mn 3d 34 Si 3d 4.52 .
16 Mn 3d 35 Si 1a 5.71 .
16 Mn 3d 36 Si 1c 2.59 .
16 Mn 3d 37 Si 3d 4.49 .
16 Mn 3d 38 Si 3d 2.42 .
16 Mn 3d 39 Si 3d 4.38 .
16 Mn 3d 40 Si 1b 2.47 .
16 Mn 3d 41 Si 1b 6.40 .
16 Mn 3d 42 Si 1c 6.39 .
16 Mn 3d 43 P 1a 2.34 .
17 Mn 3d 18 Mn 3d 6.24 .
17 Mn 3d 19 Mn 3d 4.86 .
17 Mn 3d 20 Mn 3d 5.96 .
17 Mn 3d 21 Mn 1b 4.36 .
17 Mn 3d 22 Mn 1a 2.62 .
17 Mn 3d 23 Mn 1c 4.19 .
17 Mn 3d 24 Mn 1a 5.13 .
17 Mn 3d 25 Mn 1c 3.84 .
17 Mn 3d 26 Mn 3d 4.50 .
17 Mn 3d 27 Mn 3d 4.40 .
17 Mn 3d 28 Mn 3d 2.51 .
17 Mn 3d 29 Mn 3d 6.32 .
17 Mn 3d 30 Mn 3d 5.05 .
17 Mn 3d 31 Mn 3d 6.19 .
17 Mn 3d 32 Si 3d 4.52 .
17 Mn 3d 33 Si 3d 4.30 .
17 Mn 3d 34 Si 3d 4.41 .
17 Mn 3d 35 Si 1a 5.71 .
17 Mn 3d 36 Si 1c 2.59 .
17 Mn 3d 37 Si 3d 4.38 .
17 Mn 3d 38 Si 3d 4.49 .
17 Mn 3d 39 Si 3d 2.42 .
17 Mn 3d 40 Si 1b 2.47 .
17 Mn 3d 41 Si 1b 6.40 .
17 Mn 3d 42 Si 1c 6.39 .
17 Mn 3d 43 P 1a 2.34 .
18 Mn 3d 19 Mn 3d 3.72 .
18 Mn 3d 20 Mn 3d 3.72 .
18 Mn 3d 21 Mn 1b 4.32 .
18 Mn 3d 22 Mn 1a 4.21 .
18 Mn 3d 23 Mn 1c 2.64 .
18 Mn 3d 24 Mn 1a 3.85 .
18 Mn 3d 25 Mn 1c 5.14 .
18 Mn 3d 26 Mn 3d 6.19 .
18 Mn 3d 27 Mn 3d 5.05 .
18 Mn 3d 28 Mn 3d 6.32 .
18 Mn 3d 29 Mn 3d 2.51 .
18 Mn 3d 30 Mn 3d 4.41 .
18 Mn 3d 31 Mn 3d 4.52 .
18 Mn 3d 32 Si 3d 4.53 .
18 Mn 3d 33 Si 3d 4.42 .
18 Mn 3d 34 Si 3d 4.30 .
18 Mn 3d 35 Si 1a 2.59 .
18 Mn 3d 36 Si 1c 5.72 .
18 Mn 3d 37 Si 3d 4.36 .
18 Mn 3d 38 Si 3d 2.44 .
18 Mn 3d 39 Si 3d 4.52 .
18 Mn 3d 40 Si 1b 6.40 .
18 Mn 3d 41 Si 1b 2.45 .
18 Mn 3d 42 Si 1c 2.40 .
18 Mn 3d 43 P 1a 6.28 .
19 Mn 3d 20 Mn 3d 3.72 .
19 Mn 3d 21 Mn 1b 4.32 .
19 Mn 3d 22 Mn 1a 4.21 .
19 Mn 3d 23 Mn 1c 2.64 .
19 Mn 3d 24 Mn 1a 3.85 .
19 Mn 3d 25 Mn 1c 5.14 .
19 Mn 3d 26 Mn 3d 6.32 .
19 Mn 3d 27 Mn 3d 6.19 .
19 Mn 3d 28 Mn 3d 5.05 .
19 Mn 3d 29 Mn 3d 4.52 .
19 Mn 3d 30 Mn 3d 2.51 .
19 Mn 3d 31 Mn 3d 4.41 .
19 Mn 3d 32 Si 3d 4.30 .
19 Mn 3d 33 Si 3d 4.53 .
19 Mn 3d 34 Si 3d 4.42 .
19 Mn 3d 35 Si 1a 2.59 .
19 Mn 3d 36 Si 1c 5.72 .
19 Mn 3d 37 Si 3d 4.52 .
19 Mn 3d 38 Si 3d 4.36 .
19 Mn 3d 39 Si 3d 2.44 .
19 Mn 3d 40 Si 1b 6.40 .
19 Mn 3d 41 Si 1b 2.45 .
19 Mn 3d 42 Si 1c 2.40 .
19 Mn 3d 43 P 1a 6.28 .
20 Mn 3d 21 Mn 1b 4.32 .
20 Mn 3d 22 Mn 1a 4.21 .
20 Mn 3d 23 Mn 1c 2.64 .
20 Mn 3d 24 Mn 1a 3.85 .
20 Mn 3d 25 Mn 1c 5.14 .
20 Mn 3d 26 Mn 3d 5.05 .
20 Mn 3d 27 Mn 3d 6.32 .
20 Mn 3d 28 Mn 3d 6.19 .
20 Mn 3d 29 Mn 3d 4.41 .
20 Mn 3d 30 Mn 3d 4.52 .
20 Mn 3d 31 Mn 3d 2.51 .
20 Mn 3d 32 Si 3d 4.42 .
20 Mn 3d 33 Si 3d 4.30 .
20 Mn 3d 34 Si 3d 4.53 .
20 Mn 3d 35 Si 1a 2.59 .
20 Mn 3d 36 Si 1c 5.72 .
20 Mn 3d 37 Si 3d 2.44 .
20 Mn 3d 38 Si 3d 4.52 .
20 Mn 3d 39 Si 3d 4.36 .
20 Mn 3d 40 Si 1b 6.40 .
20 Mn 3d 41 Si 1b 2.45 .
20 Mn 3d 42 Si 1c 2.40 .
20 Mn 3d 43 P 1a 6.28 .
21 Mn 1b 22 Mn 1a 6.58 .
21 Mn 1b 23 Mn 1c 6.58 .
21 Mn 1b 24 Mn 1a 4.05 .
21 Mn 1b 25 Mn 1c 4.06 .
21 Mn 1b 26 Mn 3d 2.63 .
21 Mn 1b 27 Mn 3d 2.63 .
21 Mn 1b 28 Mn 3d 2.63 .
21 Mn 1b 29 Mn 3d 2.61 .
21 Mn 1b 30 Mn 3d 2.61 .
21 Mn 1b 31 Mn 3d 2.61 .
21 Mn 1b 32 Si 3d 2.41 .
21 Mn 1b 33 Si 3d 2.41 .
21 Mn 1b 34 Si 3d 2.41 .
21 Mn 1b 35 Si 1a 5.15 .
21 Mn 1b 36 Si 1c 5.17 .
21 Mn 1b 37 Si 3d 6.55 .
21 Mn 1b 38 Si 3d 6.55 .
21 Mn 1b 39 Si 3d 6.55 .
21 Mn 1b 40 Si 1b 2.59 .
21 Mn 1b 41 Si 1b 2.57 .
21 Mn 1b 42 Si 1c 4.81 .
21 Mn 1b 43 P 1a 4.89 .
22 Mn 1a 23 Mn 1c 4.36 .
22 Mn 1a 24 Mn 1a 6.14 .
22 Mn 1a 25 Mn 1c 5.88 .
22 Mn 1a 26 Mn 3d 4.50 .
22 Mn 1a 27 Mn 3d 4.50 .
22 Mn 1a 28 Mn 3d 4.50 .
22 Mn 1a 29 Mn 3d 6.36 .
22 Mn 1a 30 Mn 3d 6.36 .
22 Mn 1a 31 Mn 3d 6.36 .
22 Mn 1a 32 Si 3d 5.70 .
22 Mn 1a 33 Si 3d 5.70 .
22 Mn 1a 34 Si 3d 5.70 .
22 Mn 1a 35 Si 1a 3.80 .
22 Mn 1a 36 Si 1c 4.40 .
22 Mn 1a 37 Si 3d 2.49 .
22 Mn 1a 38 Si 3d 2.49 .
22 Mn 1a 39 Si 3d 2.49 .
22 Mn 1a 40 Si 1b 4.77 .
22 Mn 1a 41 Si 1b 6.02 .
22 Mn 1a 42 Si 1c 5.89 .
22 Mn 1a 43 P 1a 2.39 .
23 Mn 1c 24 Mn 1a 5.90 .
23 Mn 1c 25 Mn 1c 6.17 .
23 Mn 1c 26 Mn 3d 6.33 .
23 Mn 1c 27 Mn 3d 6.33 .
23 Mn 1c 28 Mn 3d 6.33 .
23 Mn 1c 29 Mn 3d 4.53 .
23 Mn 1c 30 Mn 3d 4.53 .
23 Mn 1c 31 Mn 3d 4.53 .
23 Mn 1c 32 Si 3d 5.73 .
23 Mn 1c 33 Si 3d 5.73 .
23 Mn 1c 34 Si 3d 5.73 .
23 Mn 1c 35 Si 1a 4.41 .
23 Mn 1c 36 Si 1c 3.78 .
23 Mn 1c 37 Si 3d 2.52 .
23 Mn 1c 38 Si 3d 2.52 .
23 Mn 1c 39 Si 3d 2.52 .
23 Mn 1c 40 Si 1b 6.00 .
23 Mn 1c 41 Si 1b 4.78 .
23 Mn 1c 42 Si 1c 2.53 .
23 Mn 1c 43 P 1a 5.79 .
24 Mn 1a 25 Mn 1c 4.34 .
24 Mn 1a 26 Mn 3d 3.00 .
24 Mn 1a 27 Mn 3d 3.00 .
24 Mn 1a 28 Mn 3d 3.00 .
24 Mn 1a 29 Mn 3d 2.50 .
24 Mn 1a 30 Mn 3d 2.50 .
24 Mn 1a 31 Mn 3d 2.50 .
24 Mn 1a 32 Si 3d 2.40 .
24 Mn 1a 33 Si 3d 2.40 .
24 Mn 1a 34 Si 3d 2.40 .
24 Mn 1a 35 Si 1a 2.42 .
24 Mn 1a 36 Si 1c 5.77 .
24 Mn 1a 37 Si 3d 5.78 .
24 Mn 1a 38 Si 3d 5.78 .
24 Mn 1a 39 Si 3d 5.78 .
24 Mn 1a 40 Si 1b 5.26 .
24 Mn 1a 41 Si 1b 4.30 .
24 Mn 1a 42 Si 1c 4.37 .
24 Mn 1a 43 P 1a 3.76 .
25 Mn 1c 26 Mn 3d 2.50 .
25 Mn 1c 27 Mn 3d 2.50 .
25 Mn 1c 28 Mn 3d 2.50 .
25 Mn 1c 29 Mn 3d 3.00 .
25 Mn 1c 30 Mn 3d 3.00 .
25 Mn 1c 31 Mn 3d 3.00 .
25 Mn 1c 32 Si 3d 2.39 .
25 Mn 1c 33 Si 3d 2.39 .
25 Mn 1c 34 Si 3d 2.39 .
25 Mn 1c 35 Si 1a 5.77 .
25 Mn 1c 36 Si 1c 2.42 .
25 Mn 1c 37 Si 3d 5.78 .
25 Mn 1c 38 Si 3d 5.78 .
25 Mn 1c 39 Si 3d 5.78 .
25 Mn 1c 40 Si 1b 4.30 .
25 Mn 1c 41 Si 1b 5.26 .
25 Mn 1c 42 Si 1c 3.64 .
25 Mn 1c 43 P 1a 4.42 .
26 Mn 3d 27 Mn 3d 3.61 .
26 Mn 3d 28 Mn 3d 3.61 .
26 Mn 3d 29 Mn 3d 4.52 .
26 Mn 3d 30 Mn 3d 4.59 .
26 Mn 3d 31 Mn 3d 2.56 .
26 Mn 3d 32 Si 3d 2.50 .
26 Mn 3d 33 Si 3d 2.84 .
26 Mn 3d 34 Si 3d 2.50 .
26 Mn 3d 35 Si 1a 5.03 .
26 Mn 3d 36 Si 1c 3.22 .
26 Mn 3d 37 Si 3d 4.92 .
26 Mn 3d 38 Si 3d 6.21 .
26 Mn 3d 39 Si 3d 6.21 .
26 Mn 3d 40 Si 1b 2.65 .
26 Mn 3d 41 Si 1b 4.48 .
26 Mn 3d 42 Si 1c 4.71 .
26 Mn 3d 43 P 1a 2.63 .
27 Mn 3d 28 Mn 3d 3.61 .
27 Mn 3d 29 Mn 3d 2.56 .
27 Mn 3d 30 Mn 3d 4.52 .
27 Mn 3d 31 Mn 3d 4.59 .
27 Mn 3d 32 Si 3d 2.50 .
27 Mn 3d 33 Si 3d 2.50 .
27 Mn 3d 34 Si 3d 2.84 .
27 Mn 3d 35 Si 1a 5.03 .
27 Mn 3d 36 Si 1c 3.22 .
27 Mn 3d 37 Si 3d 6.21 .
27 Mn 3d 38 Si 3d 4.92 .
27 Mn 3d 39 Si 3d 6.21 .
27 Mn 3d 40 Si 1b 2.65 .
27 Mn 3d 41 Si 1b 4.48 .
27 Mn 3d 42 Si 1c 4.71 .
27 Mn 3d 43 P 1a 2.63 .
28 Mn 3d 29 Mn 3d 4.59 .
28 Mn 3d 30 Mn 3d 2.56 .
28 Mn 3d 31 Mn 3d 4.52 .
28 Mn 3d 32 Si 3d 2.84 .
28 Mn 3d 33 Si 3d 2.50 .
28 Mn 3d 34 Si 3d 2.50 .
28 Mn 3d 35 Si 1a 5.03 .
28 Mn 3d 36 Si 1c 3.22 .
28 Mn 3d 37 Si 3d 6.21 .
28 Mn 3d 38 Si 3d 6.21 .
28 Mn 3d 39 Si 3d 4.92 .
28 Mn 3d 40 Si 1b 2.65 .
28 Mn 3d 41 Si 1b 4.48 .
28 Mn 3d 42 Si 1c 4.71 .
28 Mn 3d 43 P 1a 2.63 .
29 Mn 3d 30 Mn 3d 3.63 .
29 Mn 3d 31 Mn 3d 3.63 .
29 Mn 3d 32 Si 3d 2.85 .
29 Mn 3d 33 Si 3d 2.50 .
29 Mn 3d 34 Si 3d 2.50 .
29 Mn 3d 35 Si 1a 3.21 .
29 Mn 3d 36 Si 1c 5.03 .
29 Mn 3d 37 Si 3d 6.21 .
29 Mn 3d 38 Si 3d 4.94 .
29 Mn 3d 39 Si 3d 6.24 .
29 Mn 3d 40 Si 1b 4.47 .
29 Mn 3d 41 Si 1b 2.65 .
29 Mn 3d 42 Si 1c 2.57 .
29 Mn 3d 43 P 1a 4.81 .
30 Mn 3d 31 Mn 3d 3.63 .
30 Mn 3d 32 Si 3d 2.50 .
30 Mn 3d 33 Si 3d 2.85 .
30 Mn 3d 34 Si 3d 2.50 .
30 Mn 3d 35 Si 1a 3.21 .
30 Mn 3d 36 Si 1c 5.03 .
30 Mn 3d 37 Si 3d 6.24 .
30 Mn 3d 38 Si 3d 6.21 .
30 Mn 3d 39 Si 3d 4.94 .
30 Mn 3d 40 Si 1b 4.47 .
30 Mn 3d 41 Si 1b 2.65 .
30 Mn 3d 42 Si 1c 2.57 .
30 Mn 3d 43 P 1a 4.81 .
31 Mn 3d 32 Si 3d 2.50 .
31 Mn 3d 33 Si 3d 2.50 .
31 Mn 3d 34 Si 3d 2.85 .
31 Mn 3d 35 Si 1a 3.21 .
31 Mn 3d 36 Si 1c 5.03 .
31 Mn 3d 37 Si 3d 4.94 .
31 Mn 3d 38 Si 3d 6.24 .
31 Mn 3d 39 Si 3d 6.21 .
31 Mn 3d 40 Si 1b 4.47 .
31 Mn 3d 41 Si 1b 2.65 .
31 Mn 3d 42 Si 1c 2.57 .
31 Mn 3d 43 P 1a 4.81 .
32 Si 3d 33 Si 3d 3.83 .
32 Si 3d 34 Si 3d 3.83 .
32 Si 3d 35 Si 1a 4.00 .
32 Si 3d 36 Si 1c 3.98 .
32 Si 3d 37 Si 3d 6.57 .
32 Si 3d 38 Si 3d 6.59 .
32 Si 3d 39 Si 3d 6.60 .
32 Si 3d 40 Si 1b 3.52 .
32 Si 3d 41 Si 1b 3.53 .
32 Si 3d 42 Si 1c 3.53 .
32 Si 3d 43 P 1a 3.63 .
33 Si 3d 34 Si 3d 3.83 .
33 Si 3d 35 Si 1a 4.00 .
33 Si 3d 36 Si 1c 3.98 .
33 Si 3d 37 Si 3d 6.60 .
33 Si 3d 38 Si 3d 6.57 .
33 Si 3d 39 Si 3d 6.59 .
33 Si 3d 40 Si 1b 3.52 .
33 Si 3d 41 Si 1b 3.53 .
33 Si 3d 42 Si 1c 3.53 .
33 Si 3d 43 P 1a 3.63 .
34 Si 3d 35 Si 1a 4.00 .
34 Si 3d 36 Si 1c 3.98 .
34 Si 3d 37 Si 3d 6.59 .
34 Si 3d 38 Si 3d 6.60 .
34 Si 3d 39 Si 3d 6.57 .
34 Si 3d 40 Si 1b 3.52 .
34 Si 3d 41 Si 1b 3.53 .
34 Si 3d 42 Si 1c 3.53 .
34 Si 3d 43 P 1a 3.63 .
35 Si 1a 36 Si 1c 6.97 .
35 Si 1a 37 Si 3d 3.69 .
35 Si 1a 38 Si 3d 3.69 .
35 Si 1a 39 Si 3d 3.69 .
35 Si 1a 40 Si 1b 7.09 .
35 Si 1a 41 Si 1b 4.02 .
35 Si 1a 42 Si 1c 3.99 .
35 Si 1a 43 P 1a 6.18 .
36 Si 1c 37 Si 3d 3.70 .
36 Si 1c 38 Si 3d 3.70 .
36 Si 1c 39 Si 3d 3.70 .
36 Si 1c 40 Si 1b 4.02 .
36 Si 1c 41 Si 1b 7.10 .
36 Si 1c 42 Si 1c 6.06 .
36 Si 1c 43 P 1a 3.98 .
37 Si 3d 38 Si 3d 3.80 .
37 Si 3d 39 Si 3d 3.80 .
37 Si 3d 40 Si 1b 4.22 .
37 Si 3d 41 Si 1b 4.22 .
37 Si 3d 42 Si 1c 4.17 .
37 Si 3d 43 P 1a 4.04 .
38 Si 3d 39 Si 3d 3.80 .
38 Si 3d 40 Si 1b 4.22 .
38 Si 3d 41 Si 1b 4.22 .
38 Si 3d 42 Si 1c 4.17 .
38 Si 3d 43 P 1a 4.04 .
39 Si 3d 40 Si 1b 4.22 .
39 Si 3d 41 Si 1b 4.22 .
39 Si 3d 42 Si 1c 4.17 .
39 Si 3d 43 P 1a 4.04 .
40 Si 1b 41 Si 1b 5.16 .
40 Si 1b 42 Si 1c 6.63 .
40 Si 1b 43 P 1a 3.96 .
41 Si 1b 42 Si 1c 3.96 .
41 Si 1b 43 P 1a 6.73 .
42 Si 1c 43 P 1a 6.87 .
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-1222619
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