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DyCo2Ge3

Alexandria ALEX

Alex-ID: agm005870943 · Space group: C2/m (#12)

Basic Information

Formula
DyCo2Ge3
Alex-ID
agm005870943
Elements
3
Sites
18
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
285.13
ų
Cell a
3.9176
Å
Cell b
8.0833
Å
Cell c
9.5691
Å
α angle
103.67
°
β angle
90.00
°
γ angle
104.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyCo2Ge3
Dy
3.00 · 16.7%
Co
6.00 · 33.3%
Ge
9.00 · 50.0%

Energy & Stability

Energy above hull
0.0841
eV/atom
Formation energy
-0.4426
eV/atom
Corrected total energy
-106.0772
eV
Raw total energy
-106.0772
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.0287
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_326_spg12

Decomposition

Dy(Co2Ge3)2 Dy2Co3Ge5 Dy(CoGe)2

Computed at

2023-08-17 08:32:39.082152

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005870943).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005870943
data_agm005870943
_cell_length_a     3.91756
_cell_length_b     8.08327
_cell_length_c     9.56908
_cell_angle_alpha  103.67167
_cell_angle_beta   90.00000
_cell_angle_gamma  104.02382
_cell_volume       285.13208
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Dy1 Dy 0.14939 0.29877 0.69631 1.00000
  Dy2 Dy 0.85061 0.70123 0.30369 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.20700 0.41401 0.08184 1.00000
  Co2 Co 0.79300 0.58599 0.91816 1.00000
  Co3 Co 0.49628 0.99255 0.23720 1.00000
  Co4 Co 0.50372 0.00745 0.76280 1.00000
  Co5 Co 0.35656 0.71313 0.56394 1.00000
  Co6 Co 0.64344 0.28687 0.43606 1.00000
  Ge1 Ge 0.05250 0.10500 0.35189 1.00000
  Ge2 Ge 0.94750 0.89500 0.64811 1.00000
  Ge3 Ge 0.22818 0.45636 0.37561 1.00000
  Ge4 Ge 0.77182 0.54364 0.62439 1.00000
  Ge5 Ge 0.63993 0.27987 0.18162 1.00000
  Ge6 Ge 0.36007 0.72013 0.81838 1.00000
  Ge7 Ge 0.50000 0.00000 0.50000 1.00000
  Ge8 Ge 0.35682 0.71364 0.08009 1.00000
  Ge9 Ge 0.64318 0.28636 0.91991 1.00000
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