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Dy3Cd2Co

Alexandria ALEX

Alex-ID: agm040579263 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Dy3Cd2Co
Alex-ID
agm040579263
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
140.56
ų
Cell a
8.1830
Å
Cell b
8.1830
Å
Cell c
3.4741
Å
α angle
90.00
°
β angle
90.00
°
γ angle
142.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Cd2Co
Dy
3.00 · 50.0%
Cd
2.00 · 33.3%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0239
eV/atom
Formation energy
-0.2617
eV/atom
Corrected total energy
-24.3520
eV
Raw total energy
-24.3520
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0016
eV
DOS at Fermi level
4.0299
Total magnetisation
0.1698
μB

Additional Information

Prototype ID

AB2C3_3_spg65

Decomposition

Dy9Cd5Co4 DyCd

Computed at

2025-04-13 15:36:22

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: agm040579263).

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 agm040579263
data_agm040579263
_cell_length_a     8.18301
_cell_length_b     8.18301
_cell_length_c     3.47406
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  142.82686
_cell_volume       140.56026
_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 0.00000 0.00000 0.50000 1.00000
  Dy2 Dy 0.63812 0.36188 0.50000 1.00000
  Dy3 Dy 0.36188 0.63812 0.50000 1.00000
  Cd1 Cd 0.18468 0.81532 0.00000 1.00000
  Cd2 Cd 0.81532 0.18468 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
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