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Dy3Co3Ge7

Alexandria ALEX

Alex-ID: agm008409596 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Dy3Co3Ge7
Alex-ID
agm008409596
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
231.01
ų
Cell a
13.3097
Å
Cell b
13.3097
Å
Cell c
4.1795
Å
α angle
90.00
°
β angle
90.00
°
γ angle
161.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Co3Ge7
Dy
3.00 · 23.1%
Co
3.00 · 23.1%
Ge
7.00 · 53.8%

Energy & Stability

Energy above hull
0.0172
eV/atom
Formation energy
-0.5899
eV/atom
Corrected total energy
-75.1733
eV
Raw total energy
-75.1733
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
5.6708
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C7_1_spg38

Decomposition

Dy5(Co2Ge5)2 DyCoGe3 Dy2Co3Ge5

Computed at

2024-05-03 17:34:56.715529

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: agm008409596).

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 agm008409596
data_agm008409596
_cell_length_a     13.30971
_cell_length_b     13.30971
_cell_length_c     4.17945
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  161.81909
_cell_volume       231.01336
_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 0.00041 0.99959 0.00000 1.00000
  Dy2 Dy 0.68855 0.31145 0.50000 1.00000
  Dy3 Dy 0.31877 0.68123 0.50000 1.00000
  Co1 Co 0.86492 0.13508 0.00000 1.00000
  Co2 Co 0.13579 0.86421 0.00000 1.00000
  Co3 Co 0.44832 0.55168 0.50000 1.00000
  Ge1 Ge 0.59740 0.40260 0.00000 1.00000
  Ge2 Ge 0.40656 0.59344 0.00000 1.00000
  Ge3 Ge 0.77920 0.22080 0.00000 1.00000
  Ge4 Ge 0.22376 0.77624 0.00000 1.00000
  Ge5 Ge 0.90717 0.09283 0.50000 1.00000
  Ge6 Ge 0.09726 0.90274 0.50000 1.00000
  Ge7 Ge 0.53190 0.46810 0.50000 1.00000
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