Crystal system |
orthorhombic |
Space group number |
62 |
Hermann-Mauguin |
Pnma |
Hall |
-P 2ac 2n |
Point group |
mmm |
Normalized formula |
Y3NiGe2 |
The number of formula units per unit cell |
4 |
The total number of atoms per unit cell |
24 |
The number of inequivalent sites per unit cell |
6 |
Structure search |
MP |
a (Å) |
11.3862 |
b (Å) |
4.1663 |
c (Å) |
11.3284 |
α (deg.) |
90.000 |
β (deg.) |
90.000 |
γ (deg.) |
90.000 |
Volume (Å3) |
537.400 |
Density (g/cm3) |
5.818 |
DFT calculations (details) | |
---|---|
Formation energy (vs. elemental phases) |
-819.4 meV/atom |
Formation energy above hull |
0 meV, (stable) |
Compounds with the same formula: Y3NiGe2 |
1 entry found |
Compounds with the same elements: Y-Ni-Ge |
7 entries found |
Binary compounds in Y-Ni system |
11 entries found |
Binary compounds in Y-Ge system |
No entries found |
Binary compounds in Ni-Ge system |
12 entries found |
DFT calculations (details) | |
---|---|
Magnetic ordering |
Ferromagnetic |
Total magnetic moment |
0.04 μB/cell |
Averaged magnetic moment |
0.00 μB/atom |
Magnetic polarization, Js = μ0Ms |
0.00 T (= 0.0 emu/cm3) |
LMTO-GF calculations (details) | |
---|---|
Curie temperature, TC |
|
DFT calculations (details) | |
---|---|
Magnetic easy axis |
|
Magnetic hardness parameter, κ |
|
index | species | w | x | y | z | m (μB) | Esoc100 (meV) | Esoc001 (meV) |
---|---|---|---|---|---|---|---|---|
1 | Y | 4c | 0.250000 | 0.373811 | 0.058396 | 0.00 | . | . |
2 | Y | 4c | 0.750000 | 0.626189 | 0.941604 | 0.00 | . | . |
3 | Y | 4c | 0.750000 | 0.873811 | 0.441604 | 0.00 | . | . |
4 | Y | 4c | 0.250000 | 0.126189 | 0.558396 | 0.00 | . | . |
5 | Y | 4c | 0.250000 | 0.696257 | 0.215829 | 0.00 | . | . |
6 | Y | 4c | 0.750000 | 0.303743 | 0.784171 | 0.00 | . | . |
7 | Y | 4c | 0.750000 | 0.196257 | 0.284171 | 0.00 | . | . |
8 | Y | 4c | 0.250000 | 0.803743 | 0.715829 | 0.00 | . | . |
9 | Y | 4c | 0.250000 | 0.440756 | 0.382291 | 0.00 | . | . |
10 | Y | 4c | 0.750000 | 0.559244 | 0.617709 | 0.00 | . | . |
11 | Y | 4c | 0.750000 | 0.940756 | 0.117709 | 0.00 | . | . |
12 | Y | 4c | 0.250000 | 0.059244 | 0.882291 | 0.00 | . | . |
13 | Ni | 4c | 0.250000 | 0.133583 | 0.130891 | 0.00 | . | . |
14 | Ni | 4c | 0.750000 | 0.866417 | 0.869109 | 0.00 | . | . |
15 | Ni | 4c | 0.750000 | 0.633583 | 0.369109 | 0.00 | . | . |
16 | Ni | 4c | 0.250000 | 0.366417 | 0.630891 | 0.00 | . | . |
17 | Ge | 4c | 0.250000 | 0.687365 | 0.478348 | 0.00 | . | . |
18 | Ge | 4c | 0.750000 | 0.312635 | 0.521652 | 0.00 | . | . |
19 | Ge | 4c | 0.750000 | 0.187365 | 0.021652 | 0.00 | . | . |
20 | Ge | 4c | 0.250000 | 0.812635 | 0.978348 | 0.00 | . | . |
21 | Ge | 4c | 0.250000 | 0.003373 | 0.306089 | -0.00 | . | . |
22 | Ge | 4c | 0.750000 | 0.996627 | 0.693911 | -0.00 | . | . |
23 | Ge | 4c | 0.750000 | 0.503373 | 0.193911 | -0.00 | . | . |
24 | Ge | 4c | 0.250000 | 0.496627 | 0.806089 | -0.00 | . | . |
site i | site j | distance (Å) | Jij (meV) | ||||
---|---|---|---|---|---|---|---|
1 | Y | 4c | 2 | Y | 4c | 5.94 | . |
1 | Y | 4c | 3 | Y | 4c | 7.46 | . |
1 | Y | 4c | 4 | Y | 4c | 5.76 | . |
1 | Y | 4c | 5 | Y | 4c | 2.23 | . |
1 | Y | 4c | 6 | Y | 4c | 6.49 | . |
1 | Y | 4c | 7 | Y | 4c | 6.28 | . |
1 | Y | 4c | 8 | Y | 4c | 4.27 | . |
1 | Y | 4c | 9 | Y | 4c | 3.68 | . |
1 | Y | 4c | 10 | Y | 4c | 7.61 | . |
1 | Y | 4c | 11 | Y | 4c | 6.01 | . |
1 | Y | 4c | 12 | Y | 4c | 2.39 | . |
1 | Y | 4c | 13 | Ni | 4c | 1.29 | . |
1 | Y | 4c | 14 | Ni | 4c | 6.42 | . |
1 | Y | 4c | 15 | Ni | 4c | 6.78 | . |
1 | Y | 4c | 16 | Ni | 4c | 4.84 | . |
1 | Y | 4c | 17 | Ge | 4c | 4.93 | . |
1 | Y | 4c | 18 | Ge | 4c | 7.75 | . |
1 | Y | 4c | 19 | Ge | 4c | 5.76 | . |
1 | Y | 4c | 20 | Ge | 4c | 2.04 | . |
1 | Y | 4c | 21 | Ge | 4c | 3.20 | . |
1 | Y | 4c | 22 | Ge | 4c | 7.21 | . |
1 | Y | 4c | 23 | Ge | 4c | 5.92 | . |
1 | Y | 4c | 24 | Ge | 4c | 2.90 | . |
2 | Y | 4c | 3 | Y | 4c | 5.76 | . |
2 | Y | 4c | 4 | Y | 4c | 7.46 | . |
2 | Y | 4c | 5 | Y | 4c | 6.49 | . |
2 | Y | 4c | 6 | Y | 4c | 2.23 | . |
2 | Y | 4c | 7 | Y | 4c | 4.27 | . |
2 | Y | 4c | 8 | Y | 4c | 6.28 | . |
2 | Y | 4c | 9 | Y | 4c | 7.61 | . |
2 | Y | 4c | 10 | Y | 4c | 3.68 | . |
2 | Y | 4c | 11 | Y | 4c | 2.39 | . |
2 | Y | 4c | 12 | Y | 4c | 6.01 | . |
2 | Y | 4c | 13 | Ni | 4c | 6.42 | . |
2 | Y | 4c | 14 | Ni | 4c | 1.29 | . |
2 | Y | 4c | 15 | Ni | 4c | 4.84 | . |
2 | Y | 4c | 16 | Ni | 4c | 6.78 | . |
2 | Y | 4c | 17 | Ge | 4c | 7.75 | . |
2 | Y | 4c | 18 | Ge | 4c | 4.93 | . |
2 | Y | 4c | 19 | Ge | 4c | 2.04 | . |
2 | Y | 4c | 20 | Ge | 4c | 5.76 | . |
2 | Y | 4c | 21 | Ge | 4c | 7.21 | . |
2 | Y | 4c | 22 | Ge | 4c | 3.20 | . |
2 | Y | 4c | 23 | Ge | 4c | 2.90 | . |
2 | Y | 4c | 24 | Ge | 4c | 5.92 | . |
3 | Y | 4c | 4 | Y | 4c | 5.94 | . |
3 | Y | 4c | 5 | Y | 4c | 6.28 | . |
3 | Y | 4c | 6 | Y | 4c | 4.27 | . |
3 | Y | 4c | 7 | Y | 4c | 2.23 | . |
3 | Y | 4c | 8 | Y | 4c | 6.49 | . |
3 | Y | 4c | 9 | Y | 4c | 6.01 | . |
3 | Y | 4c | 10 | Y | 4c | 2.39 | . |
3 | Y | 4c | 11 | Y | 4c | 3.68 | . |
3 | Y | 4c | 12 | Y | 4c | 7.61 | . |
3 | Y | 4c | 13 | Ni | 4c | 6.78 | . |
3 | Y | 4c | 14 | Ni | 4c | 4.84 | . |
3 | Y | 4c | 15 | Ni | 4c | 1.29 | . |
3 | Y | 4c | 16 | Ni | 4c | 6.42 | . |
3 | Y | 4c | 17 | Ge | 4c | 5.76 | . |
3 | Y | 4c | 18 | Ge | 4c | 2.04 | . |
3 | Y | 4c | 19 | Ge | 4c | 4.93 | . |
3 | Y | 4c | 20 | Ge | 4c | 7.75 | . |
3 | Y | 4c | 21 | Ge | 4c | 5.92 | . |
3 | Y | 4c | 22 | Ge | 4c | 2.90 | . |
3 | Y | 4c | 23 | Ge | 4c | 3.20 | . |
3 | Y | 4c | 24 | Ge | 4c | 7.21 | . |
4 | Y | 4c | 5 | Y | 4c | 4.27 | . |
4 | Y | 4c | 6 | Y | 4c | 6.28 | . |
4 | Y | 4c | 7 | Y | 4c | 6.49 | . |
4 | Y | 4c | 8 | Y | 4c | 2.23 | . |
4 | Y | 4c | 9 | Y | 4c | 2.39 | . |
4 | Y | 4c | 10 | Y | 4c | 6.01 | . |
4 | Y | 4c | 11 | Y | 4c | 7.61 | . |
4 | Y | 4c | 12 | Y | 4c | 3.68 | . |
4 | Y | 4c | 13 | Ni | 4c | 4.84 | . |
4 | Y | 4c | 14 | Ni | 4c | 6.78 | . |
4 | Y | 4c | 15 | Ni | 4c | 6.42 | . |
4 | Y | 4c | 16 | Ni | 4c | 1.29 | . |
4 | Y | 4c | 17 | Ge | 4c | 2.04 | . |
4 | Y | 4c | 18 | Ge | 4c | 5.76 | . |
4 | Y | 4c | 19 | Ge | 4c | 7.75 | . |
4 | Y | 4c | 20 | Ge | 4c | 4.93 | . |
4 | Y | 4c | 21 | Ge | 4c | 2.90 | . |
4 | Y | 4c | 22 | Ge | 4c | 5.92 | . |
4 | Y | 4c | 23 | Ge | 4c | 7.21 | . |
4 | Y | 4c | 24 | Ge | 4c | 3.20 | . |
5 | Y | 4c | 6 | Y | 4c | 7.68 | . |
5 | Y | 4c | 7 | Y | 4c | 6.11 | . |
5 | Y | 4c | 8 | Y | 4c | 5.68 | . |
5 | Y | 4c | 9 | Y | 4c | 2.17 | . |
5 | Y | 4c | 10 | Y | 4c | 7.31 | . |
5 | Y | 4c | 11 | Y | 4c | 5.89 | . |
5 | Y | 4c | 12 | Y | 4c | 4.07 | . |
5 | Y | 4c | 13 | Ni | 4c | 2.06 | . |
5 | Y | 4c | 14 | Ni | 4c | 6.95 | . |
5 | Y | 4c | 15 | Ni | 4c | 5.96 | . |
5 | Y | 4c | 16 | Ni | 4c | 4.90 | . |
5 | Y | 4c | 17 | Ge | 4c | 2.97 | . |
5 | Y | 4c | 18 | Ge | 4c | 6.85 | . |
5 | Y | 4c | 19 | Ge | 4c | 6.44 | . |
5 | Y | 4c | 20 | Ge | 4c | 2.73 | . |
5 | Y | 4c | 21 | Ge | 4c | 1.64 | . |
5 | Y | 4c | 22 | Ge | 4c | 7.96 | . |
5 | Y | 4c | 23 | Ge | 4c | 5.75 | . |
5 | Y | 4c | 24 | Ge | 4c | 4.72 | . |
6 | Y | 4c | 7 | Y | 4c | 5.68 | . |
6 | Y | 4c | 8 | Y | 4c | 6.11 | . |
6 | Y | 4c | 9 | Y | 4c | 7.31 | . |
6 | Y | 4c | 10 | Y | 4c | 2.17 | . |
6 | Y | 4c | 11 | Y | 4c | 4.07 | . |
6 | Y | 4c | 12 | Y | 4c | 5.89 | . |
6 | Y | 4c | 13 | Ni | 4c | 6.95 | . |
6 | Y | 4c | 14 | Ni | 4c | 2.06 | . |
6 | Y | 4c | 15 | Ni | 4c | 4.90 | . |
6 | Y | 4c | 16 | Ni | 4c | 5.96 | . |
6 | Y | 4c | 17 | Ge | 4c | 6.85 | . |
6 | Y | 4c | 18 | Ge | 4c | 2.97 | . |
6 | Y | 4c | 19 | Ge | 4c | 2.73 | . |
6 | Y | 4c | 20 | Ge | 4c | 6.44 | . |
6 | Y | 4c | 21 | Ge | 4c | 7.96 | . |
6 | Y | 4c | 22 | Ge | 4c | 1.64 | . |
6 | Y | 4c | 23 | Ge | 4c | 4.72 | . |
6 | Y | 4c | 24 | Ge | 4c | 5.75 | . |
7 | Y | 4c | 8 | Y | 4c | 7.68 | . |
7 | Y | 4c | 9 | Y | 4c | 5.89 | . |
7 | Y | 4c | 10 | Y | 4c | 4.07 | . |
7 | Y | 4c | 11 | Y | 4c | 2.17 | . |
7 | Y | 4c | 12 | Y | 4c | 7.31 | . |
7 | Y | 4c | 13 | Ni | 4c | 5.96 | . |
7 | Y | 4c | 14 | Ni | 4c | 4.90 | . |
7 | Y | 4c | 15 | Ni | 4c | 2.06 | . |
7 | Y | 4c | 16 | Ni | 4c | 6.95 | . |
7 | Y | 4c | 17 | Ge | 4c | 6.44 | . |
7 | Y | 4c | 18 | Ge | 4c | 2.73 | . |
7 | Y | 4c | 19 | Ge | 4c | 2.97 | . |
7 | Y | 4c | 20 | Ge | 4c | 6.85 | . |
7 | Y | 4c | 21 | Ge | 4c | 5.75 | . |
7 | Y | 4c | 22 | Ge | 4c | 4.72 | . |
7 | Y | 4c | 23 | Ge | 4c | 1.64 | . |
7 | Y | 4c | 24 | Ge | 4c | 7.96 | . |
8 | Y | 4c | 9 | Y | 4c | 4.07 | . |
8 | Y | 4c | 10 | Y | 4c | 5.89 | . |
8 | Y | 4c | 11 | Y | 4c | 7.31 | . |
8 | Y | 4c | 12 | Y | 4c | 2.17 | . |
8 | Y | 4c | 13 | Ni | 4c | 4.90 | . |
8 | Y | 4c | 14 | Ni | 4c | 5.96 | . |
8 | Y | 4c | 15 | Ni | 4c | 6.95 | . |
8 | Y | 4c | 16 | Ni | 4c | 2.06 | . |
8 | Y | 4c | 17 | Ge | 4c | 2.73 | . |
8 | Y | 4c | 18 | Ge | 4c | 6.44 | . |
8 | Y | 4c | 19 | Ge | 4c | 6.85 | . |
8 | Y | 4c | 20 | Ge | 4c | 2.97 | . |
8 | Y | 4c | 21 | Ge | 4c | 4.72 | . |
8 | Y | 4c | 22 | Ge | 4c | 5.75 | . |
8 | Y | 4c | 23 | Ge | 4c | 7.96 | . |
8 | Y | 4c | 24 | Ge | 4c | 1.64 | . |
9 | Y | 4c | 10 | Y | 4c | 6.31 | . |
9 | Y | 4c | 11 | Y | 4c | 6.76 | . |
9 | Y | 4c | 12 | Y | 4c | 5.88 | . |
9 | Y | 4c | 13 | Ni | 4c | 3.12 | . |
9 | Y | 4c | 14 | Ni | 4c | 8.12 | . |
9 | Y | 4c | 15 | Ni | 4c | 5.75 | . |
9 | Y | 4c | 16 | Ni | 4c | 2.83 | . |
9 | Y | 4c | 17 | Ge | 4c | 1.50 | . |
9 | Y | 4c | 18 | Ge | 4c | 5.93 | . |
9 | Y | 4c | 19 | Ge | 4c | 7.09 | . |
9 | Y | 4c | 20 | Ge | 4c | 4.83 | . |
9 | Y | 4c | 21 | Ge | 4c | 2.02 | . |
9 | Y | 4c | 22 | Ge | 4c | 6.95 | . |
9 | Y | 4c | 23 | Ge | 4c | 6.09 | . |
9 | Y | 4c | 24 | Ge | 4c | 4.81 | . |
10 | Y | 4c | 11 | Y | 4c | 5.88 | . |
10 | Y | 4c | 12 | Y | 4c | 6.76 | . |
10 | Y | 4c | 13 | Ni | 4c | 8.12 | . |
10 | Y | 4c | 14 | Ni | 4c | 3.12 | . |
10 | Y | 4c | 15 | Ni | 4c | 2.83 | . |
10 | Y | 4c | 16 | Ni | 4c | 5.75 | . |
10 | Y | 4c | 17 | Ge | 4c | 5.93 | . |
10 | Y | 4c | 18 | Ge | 4c | 1.50 | . |
10 | Y | 4c | 19 | Ge | 4c | 4.83 | . |
10 | Y | 4c | 20 | Ge | 4c | 7.09 | . |
10 | Y | 4c | 21 | Ge | 4c | 6.95 | . |
10 | Y | 4c | 22 | Ge | 4c | 2.02 | . |
10 | Y | 4c | 23 | Ge | 4c | 4.81 | . |
10 | Y | 4c | 24 | Ge | 4c | 6.09 | . |
11 | Y | 4c | 12 | Y | 4c | 6.31 | . |
11 | Y | 4c | 13 | Ni | 4c | 5.75 | . |
11 | Y | 4c | 14 | Ni | 4c | 2.83 | . |
11 | Y | 4c | 15 | Ni | 4c | 3.12 | . |
11 | Y | 4c | 16 | Ni | 4c | 8.12 | . |
11 | Y | 4c | 17 | Ge | 4c | 7.09 | . |
11 | Y | 4c | 18 | Ge | 4c | 4.83 | . |
11 | Y | 4c | 19 | Ge | 4c | 1.50 | . |
11 | Y | 4c | 20 | Ge | 4c | 5.93 | . |
11 | Y | 4c | 21 | Ge | 4c | 6.09 | . |
11 | Y | 4c | 22 | Ge | 4c | 4.81 | . |
11 | Y | 4c | 23 | Ge | 4c | 2.02 | . |
11 | Y | 4c | 24 | Ge | 4c | 6.95 | . |
12 | Y | 4c | 13 | Ni | 4c | 2.83 | . |
12 | Y | 4c | 14 | Ni | 4c | 5.75 | . |
12 | Y | 4c | 15 | Ni | 4c | 8.12 | . |
12 | Y | 4c | 16 | Ni | 4c | 3.12 | . |
12 | Y | 4c | 17 | Ge | 4c | 4.83 | . |
12 | Y | 4c | 18 | Ge | 4c | 7.09 | . |
12 | Y | 4c | 19 | Ge | 4c | 5.93 | . |
12 | Y | 4c | 20 | Ge | 4c | 1.50 | . |
12 | Y | 4c | 21 | Ge | 4c | 4.81 | . |
12 | Y | 4c | 22 | Ge | 4c | 6.09 | . |
12 | Y | 4c | 23 | Ge | 4c | 6.95 | . |
12 | Y | 4c | 24 | Ge | 4c | 2.02 | . |
13 | Ni | 4c | 14 | Ni | 4c | 6.52 | . |
13 | Ni | 4c | 15 | Ni | 4c | 6.64 | . |
13 | Ni | 4c | 16 | Ni | 4c | 5.75 | . |
13 | Ni | 4c | 17 | Ge | 4c | 4.35 | . |
13 | Ni | 4c | 18 | Ge | 4c | 7.25 | . |
13 | Ni | 4c | 19 | Ge | 4c | 5.83 | . |
13 | Ni | 4c | 20 | Ge | 4c | 2.19 | . |
13 | Ni | 4c | 21 | Ge | 4c | 2.06 | . |
13 | Ni | 4c | 22 | Ge | 4c | 7.57 | . |
13 | Ni | 4c | 23 | Ge | 4c | 5.94 | . |
13 | Ni | 4c | 24 | Ge | 4c | 3.98 | . |
14 | Ni | 4c | 15 | Ni | 4c | 5.75 | . |
14 | Ni | 4c | 16 | Ni | 4c | 6.64 | . |
14 | Ni | 4c | 17 | Ge | 4c | 7.25 | . |
14 | Ni | 4c | 18 | Ge | 4c | 4.35 | . |
14 | Ni | 4c | 19 | Ge | 4c | 2.19 | . |
14 | Ni | 4c | 20 | Ge | 4c | 5.83 | . |
14 | Ni | 4c | 21 | Ge | 4c | 7.57 | . |
14 | Ni | 4c | 22 | Ge | 4c | 2.06 | . |
14 | Ni | 4c | 23 | Ge | 4c | 3.98 | . |
14 | Ni | 4c | 24 | Ge | 4c | 5.94 | . |
15 | Ni | 4c | 16 | Ni | 4c | 6.52 | . |
15 | Ni | 4c | 17 | Ge | 4c | 5.83 | . |
15 | Ni | 4c | 18 | Ge | 4c | 2.19 | . |
15 | Ni | 4c | 19 | Ge | 4c | 4.35 | . |
15 | Ni | 4c | 20 | Ge | 4c | 7.25 | . |
15 | Ni | 4c | 21 | Ge | 4c | 5.94 | . |
15 | Ni | 4c | 22 | Ge | 4c | 3.98 | . |
15 | Ni | 4c | 23 | Ge | 4c | 2.06 | . |
15 | Ni | 4c | 24 | Ge | 4c | 7.57 | . |
16 | Ni | 4c | 17 | Ge | 4c | 2.19 | . |
16 | Ni | 4c | 18 | Ge | 4c | 5.83 | . |
16 | Ni | 4c | 19 | Ge | 4c | 7.25 | . |
16 | Ni | 4c | 20 | Ge | 4c | 4.35 | . |
16 | Ni | 4c | 21 | Ge | 4c | 3.98 | . |
16 | Ni | 4c | 22 | Ge | 4c | 5.94 | . |
16 | Ni | 4c | 23 | Ge | 4c | 7.57 | . |
16 | Ni | 4c | 24 | Ge | 4c | 2.06 | . |
17 | Ge | 4c | 18 | Ge | 4c | 5.92 | . |
17 | Ge | 4c | 19 | Ge | 4c | 7.97 | . |
17 | Ge | 4c | 20 | Ge | 4c | 5.69 | . |
17 | Ge | 4c | 21 | Ge | 4c | 2.35 | . |
17 | Ge | 4c | 22 | Ge | 4c | 6.33 | . |
17 | Ge | 4c | 23 | Ge | 4c | 6.59 | . |
17 | Ge | 4c | 24 | Ge | 4c | 3.80 | . |
18 | Ge | 4c | 19 | Ge | 4c | 5.69 | . |
18 | Ge | 4c | 20 | Ge | 4c | 7.97 | . |
18 | Ge | 4c | 21 | Ge | 4c | 6.33 | . |
18 | Ge | 4c | 22 | Ge | 4c | 2.35 | . |
18 | Ge | 4c | 23 | Ge | 4c | 3.80 | . |
18 | Ge | 4c | 24 | Ge | 4c | 6.59 | . |
19 | Ge | 4c | 20 | Ge | 4c | 5.92 | . |
19 | Ge | 4c | 21 | Ge | 4c | 6.59 | . |
19 | Ge | 4c | 22 | Ge | 4c | 3.80 | . |
19 | Ge | 4c | 23 | Ge | 4c | 2.35 | . |
19 | Ge | 4c | 24 | Ge | 4c | 6.33 | . |
20 | Ge | 4c | 21 | Ge | 4c | 3.80 | . |
20 | Ge | 4c | 22 | Ge | 4c | 6.59 | . |
20 | Ge | 4c | 23 | Ge | 4c | 6.33 | . |
20 | Ge | 4c | 24 | Ge | 4c | 2.35 | . |
21 | Ge | 4c | 22 | Ge | 4c | 7.19 | . |
21 | Ge | 4c | 23 | Ge | 4c | 6.19 | . |
21 | Ge | 4c | 24 | Ge | 4c | 6.03 | . |
22 | Ge | 4c | 23 | Ge | 4c | 6.03 | . |
22 | Ge | 4c | 24 | Ge | 4c | 6.19 | . |
23 | Ge | 4c | 24 | Ge | 4c | 7.19 | . |
DFT calculations |
|
LMTO-GF calculations |
|
References |
Materials Project: mp-1207820 |