Crystal system |
monoclinic |
Space group number |
8 |
Hermann-Mauguin |
Cm |
Hall |
C -2y |
Point group |
m |
Normalized formula |
Zr2Co10C |
The number of formula units per unit cell |
2 |
The total number of atoms per unit cell |
26 |
The number of inequivalent sites per unit cell |
9 |
Structure search |
AGA search |
a (Å) |
4.7360 |
b (Å) |
8.0628 |
c (Å) |
8.2740 |
α (deg.) |
90.000 |
β (deg.) |
101.596 |
γ (deg.) |
90.000 |
Volume (Å3) |
309.501 |
Density (g/cm3) |
8.410 |
DFT calculations (details) | |
---|---|
Formation energy (vs. elemental phases) |
-153.0 meV/atom |
Formation energy above hull |
76.5 meV/atom |
Compounds with the same formula: Zr2Co10C |
7 entries found |
Compounds with the same elements: Zr-Co-C |
55 entries found |
Binary compounds in Zr-Co system |
42 entries found |
Binary compounds in Zr-C system |
6 entries found |
Binary compounds in Co-C system |
2 entries found |
DFT calculations (details) | |
---|---|
Magnetic ordering |
Ferromagnetic |
Total magnetic moment |
19.64 μB/cell |
Averaged magnetic moment |
0.76 μB/atom |
Magnetic polarization, Js = μ0Ms |
0.74 T (= 588.9 emu/cm3) |
LMTO-GF calculations (details) | |
---|---|
Curie temperature, TC |
|
DFT calculations (details) | |
---|---|
Magnetic anisotropy constant, Ka-c |
0.71 MJ/m3 (= 1.37 meV/cell) |
Magnetic anisotropy constant, Kb-c |
0.38 MJ/m3 (= 0.73 meV/cell) |
Magnetic anisotropy constant, Kb-a |
-0.34 MJ/m3 (= -0.65 meV/cell) |
Magnetic easy axis |
c |
Magnetic hardness parameter, κ |
1.29 |
index | species | w | x | y | z | m (μB) | Esoc100 (meV) | Esoc001 (meV) |
---|---|---|---|---|---|---|---|---|
1 | C | 2a | 0.657590 | 0.000000 | 0.103050 | -0.06 | . | . |
2 | C | 2a | 0.157590 | 0.500000 | 0.103050 | -0.06 | . | . |
3 | Co | 4b | 0.927630 | 0.320480 | 0.007750 | 1.10 | . | . |
4 | Co | 4b | 0.927630 | 0.679520 | 0.007750 | 1.10 | . | . |
5 | Co | 4b | 0.427630 | 0.820480 | 0.007750 | 1.10 | . | . |
6 | Co | 4b | 0.427630 | 0.179520 | 0.007750 | 1.10 | . | . |
7 | Co | 4b | 0.349220 | 0.336220 | 0.254880 | 0.86 | . | . |
8 | Co | 4b | 0.349220 | 0.663780 | 0.254880 | 0.86 | . | . |
9 | Co | 4b | 0.849220 | 0.836220 | 0.254880 | 0.86 | . | . |
10 | Co | 4b | 0.849220 | 0.163780 | 0.254880 | 0.86 | . | . |
11 | Co | 4b | 0.193970 | 0.248750 | 0.511210 | 1.08 | . | . |
12 | Co | 4b | 0.193970 | 0.751250 | 0.511210 | 1.08 | . | . |
13 | Co | 4b | 0.693970 | 0.748750 | 0.511210 | 1.08 | . | . |
14 | Co | 4b | 0.693970 | 0.251250 | 0.511210 | 1.08 | . | . |
15 | Co | 4b | 0.031790 | 0.168390 | 0.769520 | 1.20 | . | . |
16 | Co | 4b | 0.031790 | 0.831610 | 0.769520 | 1.20 | . | . |
17 | Co | 4b | 0.531790 | 0.668390 | 0.769520 | 1.20 | . | . |
18 | Co | 4b | 0.531790 | 0.331610 | 0.769520 | 1.20 | . | . |
19 | Co | 2a | 0.941880 | 0.000000 | 0.517520 | 1.20 | . | . |
20 | Co | 2a | 0.441880 | 0.500000 | 0.517520 | 1.20 | . | . |
21 | Co | 2a | 0.979260 | 0.000000 | 0.006610 | 0.83 | . | . |
22 | Co | 2a | 0.479260 | 0.500000 | 0.006610 | 0.83 | . | . |
23 | Zr | 2a | 0.515820 | 0.000000 | 0.722690 | -0.18 | . | . |
24 | Zr | 2a | 0.015820 | 0.500000 | 0.722690 | -0.18 | . | . |
25 | Zr | 2a | 0.367130 | 0.000000 | 0.310720 | -0.15 | . | . |
26 | Zr | 2a | 0.867130 | 0.500000 | 0.310720 | -0.15 | . | . |
site i | site j | distance (Å) | Jij (meV) | ||||
---|---|---|---|---|---|---|---|
1 | C | 2a | 2 | C | 2a | 4.68 | . |
1 | C | 2a | 3 | Co | 4b | 3.06 | . |
1 | C | 2a | 4 | Co | 4b | 3.06 | . |
1 | C | 2a | 5 | Co | 4b | 1.89 | . |
1 | C | 2a | 6 | Co | 4b | 1.89 | . |
1 | C | 2a | 7 | Co | 4b | 3.43 | . |
1 | C | 2a | 8 | Co | 4b | 3.43 | . |
1 | C | 2a | 9 | Co | 4b | 1.92 | . |
1 | C | 2a | 10 | Co | 4b | 1.92 | . |
1 | C | 2a | 11 | Co | 4b | 4.29 | . |
1 | C | 2a | 12 | Co | 4b | 4.29 | . |
1 | C | 2a | 13 | Co | 4b | 3.91 | . |
1 | C | 2a | 14 | Co | 4b | 3.91 | . |
1 | C | 2a | 15 | Co | 4b | 3.82 | . |
1 | C | 2a | 16 | Co | 4b | 3.82 | . |
1 | C | 2a | 17 | Co | 4b | 3.80 | . |
1 | C | 2a | 18 | Co | 4b | 3.80 | . |
1 | C | 2a | 19 | Co | 2a | 3.42 | . |
1 | C | 2a | 20 | Co | 2a | 5.52 | . |
1 | C | 2a | 21 | Co | 2a | 1.86 | . |
1 | C | 2a | 22 | Co | 2a | 4.16 | . |
1 | C | 2a | 23 | Zr | 2a | 3.08 | . |
1 | C | 2a | 24 | Zr | 2a | 5.58 | . |
1 | C | 2a | 25 | Zr | 2a | 2.41 | . |
1 | C | 2a | 26 | Zr | 2a | 4.42 | . |
2 | C | 2a | 3 | Co | 4b | 1.89 | . |
2 | C | 2a | 4 | Co | 4b | 1.89 | . |
2 | C | 2a | 5 | Co | 4b | 3.06 | . |
2 | C | 2a | 6 | Co | 4b | 3.06 | . |
2 | C | 2a | 7 | Co | 4b | 1.92 | . |
2 | C | 2a | 8 | Co | 4b | 1.92 | . |
2 | C | 2a | 9 | Co | 4b | 3.43 | . |
2 | C | 2a | 10 | Co | 4b | 3.43 | . |
2 | C | 2a | 11 | Co | 4b | 3.91 | . |
2 | C | 2a | 12 | Co | 4b | 3.91 | . |
2 | C | 2a | 13 | Co | 4b | 4.29 | . |
2 | C | 2a | 14 | Co | 4b | 4.29 | . |
2 | C | 2a | 15 | Co | 4b | 3.80 | . |
2 | C | 2a | 16 | Co | 4b | 3.80 | . |
2 | C | 2a | 17 | Co | 4b | 3.82 | . |
2 | C | 2a | 18 | Co | 4b | 3.82 | . |
2 | C | 2a | 19 | Co | 2a | 5.52 | . |
2 | C | 2a | 20 | Co | 2a | 3.42 | . |
2 | C | 2a | 21 | Co | 2a | 4.16 | . |
2 | C | 2a | 22 | Co | 2a | 1.86 | . |
2 | C | 2a | 23 | Zr | 2a | 5.58 | . |
2 | C | 2a | 24 | Zr | 2a | 3.08 | . |
2 | C | 2a | 25 | Zr | 2a | 4.42 | . |
2 | C | 2a | 26 | Zr | 2a | 2.41 | . |
3 | Co | 4b | 4 | Co | 4b | 2.89 | . |
3 | Co | 4b | 5 | Co | 4b | 4.68 | . |
3 | Co | 4b | 6 | Co | 4b | 2.63 | . |
3 | Co | 4b | 7 | Co | 4b | 2.56 | . |
3 | Co | 4b | 8 | Co | 4b | 3.77 | . |
3 | Co | 4b | 9 | Co | 4b | 4.46 | . |
3 | Co | 4b | 10 | Co | 4b | 2.49 | . |
3 | Co | 4b | 11 | Co | 4b | 4.14 | . |
3 | Co | 4b | 12 | Co | 4b | 5.38 | . |
3 | Co | 4b | 13 | Co | 4b | 5.31 | . |
3 | Co | 4b | 14 | Co | 4b | 4.07 | . |
3 | Co | 4b | 15 | Co | 4b | 2.45 | . |
3 | Co | 4b | 16 | Co | 4b | 4.48 | . |
3 | Co | 4b | 17 | Co | 4b | 3.71 | . |
3 | Co | 4b | 18 | Co | 4b | 2.43 | . |
3 | Co | 4b | 19 | Co | 2a | 4.82 | . |
3 | Co | 4b | 20 | Co | 2a | 4.48 | . |
3 | Co | 4b | 21 | Co | 2a | 2.60 | . |
3 | Co | 4b | 22 | Co | 2a | 2.57 | . |
3 | Co | 4b | 23 | Zr | 2a | 3.77 | . |
3 | Co | 4b | 24 | Zr | 2a | 2.87 | . |
3 | Co | 4b | 25 | Zr | 2a | 3.90 | . |
3 | Co | 4b | 26 | Zr | 2a | 2.96 | . |
4 | Co | 4b | 5 | Co | 4b | 2.63 | . |
4 | Co | 4b | 6 | Co | 4b | 4.68 | . |
4 | Co | 4b | 7 | Co | 4b | 3.77 | . |
4 | Co | 4b | 8 | Co | 4b | 2.56 | . |
4 | Co | 4b | 9 | Co | 4b | 2.49 | . |
4 | Co | 4b | 10 | Co | 4b | 4.46 | . |
4 | Co | 4b | 11 | Co | 4b | 5.38 | . |
4 | Co | 4b | 12 | Co | 4b | 4.14 | . |
4 | Co | 4b | 13 | Co | 4b | 4.07 | . |
4 | Co | 4b | 14 | Co | 4b | 5.31 | . |
4 | Co | 4b | 15 | Co | 4b | 4.48 | . |
4 | Co | 4b | 16 | Co | 4b | 2.45 | . |
4 | Co | 4b | 17 | Co | 4b | 2.43 | . |
4 | Co | 4b | 18 | Co | 4b | 3.71 | . |
4 | Co | 4b | 19 | Co | 2a | 4.82 | . |
4 | Co | 4b | 20 | Co | 2a | 4.48 | . |
4 | Co | 4b | 21 | Co | 2a | 2.60 | . |
4 | Co | 4b | 22 | Co | 2a | 2.57 | . |
4 | Co | 4b | 23 | Zr | 2a | 3.77 | . |
4 | Co | 4b | 24 | Zr | 2a | 2.87 | . |
4 | Co | 4b | 25 | Zr | 2a | 3.90 | . |
4 | Co | 4b | 26 | Zr | 2a | 2.96 | . |
5 | Co | 4b | 6 | Co | 4b | 2.89 | . |
5 | Co | 4b | 7 | Co | 4b | 4.46 | . |
5 | Co | 4b | 8 | Co | 4b | 2.49 | . |
5 | Co | 4b | 9 | Co | 4b | 2.56 | . |
5 | Co | 4b | 10 | Co | 4b | 3.77 | . |
5 | Co | 4b | 11 | Co | 4b | 5.31 | . |
5 | Co | 4b | 12 | Co | 4b | 4.07 | . |
5 | Co | 4b | 13 | Co | 4b | 4.14 | . |
5 | Co | 4b | 14 | Co | 4b | 5.38 | . |
5 | Co | 4b | 15 | Co | 4b | 3.71 | . |
5 | Co | 4b | 16 | Co | 4b | 2.43 | . |
5 | Co | 4b | 17 | Co | 4b | 2.45 | . |
5 | Co | 4b | 18 | Co | 4b | 4.48 | . |
5 | Co | 4b | 19 | Co | 2a | 4.48 | . |
5 | Co | 4b | 20 | Co | 2a | 4.82 | . |
5 | Co | 4b | 21 | Co | 2a | 2.57 | . |
5 | Co | 4b | 22 | Co | 2a | 2.60 | . |
5 | Co | 4b | 23 | Zr | 2a | 2.87 | . |
5 | Co | 4b | 24 | Zr | 2a | 3.77 | . |
5 | Co | 4b | 25 | Zr | 2a | 2.96 | . |
5 | Co | 4b | 26 | Zr | 2a | 3.90 | . |
6 | Co | 4b | 7 | Co | 4b | 2.49 | . |
6 | Co | 4b | 8 | Co | 4b | 4.46 | . |
6 | Co | 4b | 9 | Co | 4b | 3.77 | . |
6 | Co | 4b | 10 | Co | 4b | 2.56 | . |
6 | Co | 4b | 11 | Co | 4b | 4.07 | . |
6 | Co | 4b | 12 | Co | 4b | 5.31 | . |
6 | Co | 4b | 13 | Co | 4b | 5.38 | . |
6 | Co | 4b | 14 | Co | 4b | 4.14 | . |
6 | Co | 4b | 15 | Co | 4b | 2.43 | . |
6 | Co | 4b | 16 | Co | 4b | 3.71 | . |
6 | Co | 4b | 17 | Co | 4b | 4.48 | . |
6 | Co | 4b | 18 | Co | 4b | 2.45 | . |
6 | Co | 4b | 19 | Co | 2a | 4.48 | . |
6 | Co | 4b | 20 | Co | 2a | 4.82 | . |
6 | Co | 4b | 21 | Co | 2a | 2.57 | . |
6 | Co | 4b | 22 | Co | 2a | 2.60 | . |
6 | Co | 4b | 23 | Zr | 2a | 2.87 | . |
6 | Co | 4b | 24 | Zr | 2a | 3.77 | . |
6 | Co | 4b | 25 | Zr | 2a | 2.96 | . |
6 | Co | 4b | 26 | Zr | 2a | 3.90 | . |
7 | Co | 4b | 8 | Co | 4b | 2.64 | . |
7 | Co | 4b | 9 | Co | 4b | 4.68 | . |
7 | Co | 4b | 10 | Co | 4b | 2.75 | . |
7 | Co | 4b | 11 | Co | 4b | 2.48 | . |
7 | Co | 4b | 12 | Co | 4b | 4.11 | . |
7 | Co | 4b | 13 | Co | 4b | 4.10 | . |
7 | Co | 4b | 14 | Co | 4b | 2.50 | . |
7 | Co | 4b | 15 | Co | 4b | 4.22 | . |
7 | Co | 4b | 16 | Co | 4b | 5.65 | . |
7 | Co | 4b | 17 | Co | 4b | 4.96 | . |
7 | Co | 4b | 18 | Co | 4b | 4.17 | . |
7 | Co | 4b | 19 | Co | 2a | 4.18 | . |
7 | Co | 4b | 20 | Co | 2a | 2.51 | . |
7 | Co | 4b | 21 | Co | 2a | 3.63 | . |
7 | Co | 4b | 22 | Co | 2a | 2.62 | . |
7 | Co | 4b | 23 | Zr | 2a | 4.66 | . |
7 | Co | 4b | 24 | Zr | 2a | 4.56 | . |
7 | Co | 4b | 25 | Zr | 2a | 2.75 | . |
7 | Co | 4b | 26 | Zr | 2a | 2.74 | . |
8 | Co | 4b | 9 | Co | 4b | 2.75 | . |
8 | Co | 4b | 10 | Co | 4b | 4.68 | . |
8 | Co | 4b | 11 | Co | 4b | 4.11 | . |
8 | Co | 4b | 12 | Co | 4b | 2.48 | . |
8 | Co | 4b | 13 | Co | 4b | 2.50 | . |
8 | Co | 4b | 14 | Co | 4b | 4.10 | . |
8 | Co | 4b | 15 | Co | 4b | 5.65 | . |
8 | Co | 4b | 16 | Co | 4b | 4.22 | . |
8 | Co | 4b | 17 | Co | 4b | 4.17 | . |
8 | Co | 4b | 18 | Co | 4b | 4.96 | . |
8 | Co | 4b | 19 | Co | 2a | 4.18 | . |
8 | Co | 4b | 20 | Co | 2a | 2.51 | . |
8 | Co | 4b | 21 | Co | 2a | 3.63 | . |
8 | Co | 4b | 22 | Co | 2a | 2.62 | . |
8 | Co | 4b | 23 | Zr | 2a | 4.66 | . |
8 | Co | 4b | 24 | Zr | 2a | 4.56 | . |
8 | Co | 4b | 25 | Zr | 2a | 2.75 | . |
8 | Co | 4b | 26 | Zr | 2a | 2.74 | . |
9 | Co | 4b | 10 | Co | 4b | 2.64 | . |
9 | Co | 4b | 11 | Co | 4b | 4.10 | . |
9 | Co | 4b | 12 | Co | 4b | 2.50 | . |
9 | Co | 4b | 13 | Co | 4b | 2.48 | . |
9 | Co | 4b | 14 | Co | 4b | 4.11 | . |
9 | Co | 4b | 15 | Co | 4b | 4.96 | . |
9 | Co | 4b | 16 | Co | 4b | 4.17 | . |
9 | Co | 4b | 17 | Co | 4b | 4.22 | . |
9 | Co | 4b | 18 | Co | 4b | 5.65 | . |
9 | Co | 4b | 19 | Co | 2a | 2.51 | . |
9 | Co | 4b | 20 | Co | 2a | 4.18 | . |
9 | Co | 4b | 21 | Co | 2a | 2.62 | . |
9 | Co | 4b | 22 | Co | 2a | 3.63 | . |
9 | Co | 4b | 23 | Zr | 2a | 4.56 | . |
9 | Co | 4b | 24 | Zr | 2a | 4.66 | . |
9 | Co | 4b | 25 | Zr | 2a | 2.74 | . |
9 | Co | 4b | 26 | Zr | 2a | 2.75 | . |
10 | Co | 4b | 11 | Co | 4b | 2.50 | . |
10 | Co | 4b | 12 | Co | 4b | 4.10 | . |
10 | Co | 4b | 13 | Co | 4b | 4.11 | . |
10 | Co | 4b | 14 | Co | 4b | 2.48 | . |
10 | Co | 4b | 15 | Co | 4b | 4.17 | . |
10 | Co | 4b | 16 | Co | 4b | 4.96 | . |
10 | Co | 4b | 17 | Co | 4b | 5.65 | . |
10 | Co | 4b | 18 | Co | 4b | 4.22 | . |
10 | Co | 4b | 19 | Co | 2a | 2.51 | . |
10 | Co | 4b | 20 | Co | 2a | 4.18 | . |
10 | Co | 4b | 21 | Co | 2a | 2.62 | . |
10 | Co | 4b | 22 | Co | 2a | 3.63 | . |
10 | Co | 4b | 23 | Zr | 2a | 4.56 | . |
10 | Co | 4b | 24 | Zr | 2a | 4.66 | . |
10 | Co | 4b | 25 | Zr | 2a | 2.74 | . |
10 | Co | 4b | 26 | Zr | 2a | 2.75 | . |
11 | Co | 4b | 12 | Co | 4b | 4.01 | . |
11 | Co | 4b | 13 | Co | 4b | 4.68 | . |
11 | Co | 4b | 14 | Co | 4b | 2.37 | . |
11 | Co | 4b | 15 | Co | 4b | 2.50 | . |
11 | Co | 4b | 16 | Co | 4b | 4.14 | . |
11 | Co | 4b | 17 | Co | 4b | 4.15 | . |
11 | Co | 4b | 18 | Co | 4b | 2.49 | . |
11 | Co | 4b | 19 | Co | 2a | 2.34 | . |
11 | Co | 4b | 20 | Co | 2a | 2.34 | . |
11 | Co | 4b | 21 | Co | 2a | 4.56 | . |
11 | Co | 4b | 22 | Co | 2a | 4.53 | . |
11 | Co | 4b | 23 | Zr | 2a | 2.89 | . |
11 | Co | 4b | 24 | Zr | 2a | 2.91 | . |
11 | Co | 4b | 25 | Zr | 2a | 2.83 | . |
11 | Co | 4b | 26 | Zr | 2a | 2.87 | . |
12 | Co | 4b | 13 | Co | 4b | 2.37 | . |
12 | Co | 4b | 14 | Co | 4b | 4.68 | . |
12 | Co | 4b | 15 | Co | 4b | 4.14 | . |
12 | Co | 4b | 16 | Co | 4b | 2.50 | . |
12 | Co | 4b | 17 | Co | 4b | 2.49 | . |
12 | Co | 4b | 18 | Co | 4b | 4.15 | . |
12 | Co | 4b | 19 | Co | 2a | 2.34 | . |
12 | Co | 4b | 20 | Co | 2a | 2.34 | . |
12 | Co | 4b | 21 | Co | 2a | 4.56 | . |
12 | Co | 4b | 22 | Co | 2a | 4.53 | . |
12 | Co | 4b | 23 | Zr | 2a | 2.89 | . |
12 | Co | 4b | 24 | Zr | 2a | 2.91 | . |
12 | Co | 4b | 25 | Zr | 2a | 2.83 | . |
12 | Co | 4b | 26 | Zr | 2a | 2.87 | . |
13 | Co | 4b | 14 | Co | 4b | 4.01 | . |
13 | Co | 4b | 15 | Co | 4b | 4.15 | . |
13 | Co | 4b | 16 | Co | 4b | 2.49 | . |
13 | Co | 4b | 17 | Co | 4b | 2.50 | . |
13 | Co | 4b | 18 | Co | 4b | 4.14 | . |
13 | Co | 4b | 19 | Co | 2a | 2.34 | . |
13 | Co | 4b | 20 | Co | 2a | 2.34 | . |
13 | Co | 4b | 21 | Co | 2a | 4.53 | . |
13 | Co | 4b | 22 | Co | 2a | 4.56 | . |
13 | Co | 4b | 23 | Zr | 2a | 2.91 | . |
13 | Co | 4b | 24 | Zr | 2a | 2.89 | . |
13 | Co | 4b | 25 | Zr | 2a | 2.87 | . |
13 | Co | 4b | 26 | Zr | 2a | 2.83 | . |
14 | Co | 4b | 15 | Co | 4b | 2.49 | . |
14 | Co | 4b | 16 | Co | 4b | 4.15 | . |
14 | Co | 4b | 17 | Co | 4b | 4.14 | . |
14 | Co | 4b | 18 | Co | 4b | 2.50 | . |
14 | Co | 4b | 19 | Co | 2a | 2.34 | . |
14 | Co | 4b | 20 | Co | 2a | 2.34 | . |
14 | Co | 4b | 21 | Co | 2a | 4.53 | . |
14 | Co | 4b | 22 | Co | 2a | 4.56 | . |
14 | Co | 4b | 23 | Zr | 2a | 2.91 | . |
14 | Co | 4b | 24 | Zr | 2a | 2.89 | . |
14 | Co | 4b | 25 | Zr | 2a | 2.87 | . |
14 | Co | 4b | 26 | Zr | 2a | 2.83 | . |
15 | Co | 4b | 16 | Co | 4b | 2.72 | . |
15 | Co | 4b | 17 | Co | 4b | 4.68 | . |
15 | Co | 4b | 18 | Co | 4b | 2.71 | . |
15 | Co | 4b | 19 | Co | 2a | 2.45 | . |
15 | Co | 4b | 20 | Co | 2a | 4.11 | . |
15 | Co | 4b | 21 | Co | 2a | 2.44 | . |
15 | Co | 4b | 22 | Co | 2a | 3.72 | . |
15 | Co | 4b | 23 | Zr | 2a | 2.75 | . |
15 | Co | 4b | 24 | Zr | 2a | 2.70 | . |
15 | Co | 4b | 25 | Zr | 2a | 4.60 | . |
15 | Co | 4b | 26 | Zr | 2a | 4.58 | . |
16 | Co | 4b | 17 | Co | 4b | 2.71 | . |
16 | Co | 4b | 18 | Co | 4b | 4.68 | . |
16 | Co | 4b | 19 | Co | 2a | 2.45 | . |
16 | Co | 4b | 20 | Co | 2a | 4.11 | . |
16 | Co | 4b | 21 | Co | 2a | 2.44 | . |
16 | Co | 4b | 22 | Co | 2a | 3.72 | . |
16 | Co | 4b | 23 | Zr | 2a | 2.75 | . |
16 | Co | 4b | 24 | Zr | 2a | 2.70 | . |
16 | Co | 4b | 25 | Zr | 2a | 4.60 | . |
16 | Co | 4b | 26 | Zr | 2a | 4.58 | . |
17 | Co | 4b | 18 | Co | 4b | 2.72 | . |
17 | Co | 4b | 19 | Co | 2a | 4.11 | . |
17 | Co | 4b | 20 | Co | 2a | 2.45 | . |
17 | Co | 4b | 21 | Co | 2a | 3.72 | . |
17 | Co | 4b | 22 | Co | 2a | 2.44 | . |
17 | Co | 4b | 23 | Zr | 2a | 2.70 | . |
17 | Co | 4b | 24 | Zr | 2a | 2.75 | . |
17 | Co | 4b | 25 | Zr | 2a | 4.58 | . |
17 | Co | 4b | 26 | Zr | 2a | 4.60 | . |
18 | Co | 4b | 19 | Co | 2a | 4.11 | . |
18 | Co | 4b | 20 | Co | 2a | 2.45 | . |
18 | Co | 4b | 21 | Co | 2a | 3.72 | . |
18 | Co | 4b | 22 | Co | 2a | 2.44 | . |
18 | Co | 4b | 23 | Zr | 2a | 2.70 | . |
18 | Co | 4b | 24 | Zr | 2a | 2.75 | . |
18 | Co | 4b | 25 | Zr | 2a | 4.58 | . |
18 | Co | 4b | 26 | Zr | 2a | 4.60 | . |
19 | Co | 2a | 20 | Co | 2a | 4.68 | . |
19 | Co | 2a | 21 | Co | 2a | 4.01 | . |
19 | Co | 2a | 22 | Co | 2a | 5.91 | . |
19 | Co | 2a | 23 | Zr | 2a | 2.89 | . |
19 | Co | 2a | 24 | Zr | 2a | 4.36 | . |
19 | Co | 2a | 25 | Zr | 2a | 2.89 | . |
19 | Co | 2a | 26 | Zr | 2a | 4.37 | . |
20 | Co | 2a | 21 | Co | 2a | 5.91 | . |
20 | Co | 2a | 22 | Co | 2a | 4.01 | . |
20 | Co | 2a | 23 | Zr | 2a | 4.36 | . |
20 | Co | 2a | 24 | Zr | 2a | 2.89 | . |
20 | Co | 2a | 25 | Zr | 2a | 4.37 | . |
20 | Co | 2a | 26 | Zr | 2a | 2.89 | . |
21 | Co | 2a | 22 | Co | 2a | 4.68 | . |
21 | Co | 2a | 23 | Zr | 2a | 2.87 | . |
21 | Co | 2a | 24 | Zr | 2a | 4.69 | . |
21 | Co | 2a | 25 | Zr | 2a | 2.80 | . |
21 | Co | 2a | 26 | Zr | 2a | 4.84 | . |
22 | Co | 2a | 23 | Zr | 2a | 4.69 | . |
22 | Co | 2a | 24 | Zr | 2a | 2.87 | . |
22 | Co | 2a | 25 | Zr | 2a | 4.84 | . |
22 | Co | 2a | 26 | Zr | 2a | 2.80 | . |
23 | Zr | 2a | 24 | Zr | 2a | 4.68 | . |
23 | Zr | 2a | 25 | Zr | 2a | 3.34 | . |
23 | Zr | 2a | 26 | Zr | 2a | 5.74 | . |
24 | Zr | 2a | 25 | Zr | 2a | 5.74 | . |
24 | Zr | 2a | 26 | Zr | 2a | 3.34 | . |
25 | Zr | 2a | 26 | Zr | 2a | 4.68 | . |
DFT calculations |
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LMTO-GF calculations |
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References |
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