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Dy2CoGe6

Alexandria ALEX

Alex-ID: agm005238091 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Dy2CoGe6
Alex-ID
agm005238091
Elements
3
Sites
9
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
174.32
ų
Cell a
10.9436
Å
Cell b
10.9436
Å
Cell c
4.0796
Å
α angle
90.00
°
β angle
90.00
°
γ angle
159.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CoGe6
Dy
2.00 · 22.2%
Co
1.00 · 11.1%
Ge
6.00 · 66.7%

Energy & Stability

Energy above hull
0.0335
eV/atom
Formation energy
-0.4786
eV/atom
Corrected total energy
-48.3430
eV
Raw total energy
-48.3430
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.5461
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_158_spg38

Decomposition

Dy3Ge5 Dy3Co2Ge7 Ge

Computed at

2023-04-21 02:54:00.997899

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: agm005238091).

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 agm005238091
data_agm005238091
_cell_length_a     10.94364
_cell_length_b     10.94364
_cell_length_c     4.07962
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  159.09698
_cell_volume       174.32199
_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 0.77692 0.22308 0.50000 1.00000
  Dy2 Dy 0.11430 0.88570 0.50000 1.00000
  Co1 Co 0.55503 0.44497 0.00000 1.00000
  Ge1 Ge 0.50022 0.49978 0.50000 1.00000
  Ge2 Ge 0.38323 0.61677 0.50000 1.00000
  Ge3 Ge 0.99848 0.00152 0.00000 1.00000
  Ge4 Ge 0.88077 0.11923 0.00000 1.00000
  Ge5 Ge 0.66147 0.33853 0.00000 1.00000
  Ge6 Ge 0.23658 0.76342 0.00000 1.00000
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