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Dy12CdCo5

Alexandria ALEX

Alex-ID: agm006080452 · Space group: Immm (#71)

Basic Information

Formula
Dy12CdCo5
Alex-ID
agm006080452
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
435.25
ų
Cell a
8.2716
Å
Cell b
8.2716
Å
Cell c
8.2716
Å
α angle
107.45
°
β angle
110.67
°
γ angle
110.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy12CdCo5
Dy
12.00 · 66.7%
Cd
1.00 · 5.6%
Co
5.00 · 27.8%

Energy & Stability

Energy above hull
0.0021
eV/atom
Formation energy
-0.2020
eV/atom
Corrected total energy
-95.4234
eV
Raw total energy
-95.4234
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.3246
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB5C12_7_spg71

Decomposition

Dy12CdCo6 Dy5Co2 Dy4CdCo

Computed at

2023-08-10 11:52:38.079085

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: agm006080452).

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 agm006080452
data_agm006080452
_cell_length_a     8.27160
_cell_length_b     8.27160
_cell_length_c     8.27160
_cell_angle_alpha  107.45206
_cell_angle_beta   110.67228
_cell_angle_gamma  110.30822
_cell_volume       435.25107
_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 0.52342 0.81541 0.70801 1.00000
  Dy2 Dy 0.47658 0.18459 0.29199 1.00000
  Dy3 Dy 0.89260 0.18459 0.70801 1.00000
  Dy4 Dy 0.10740 0.81541 0.29199 1.00000
  Dy5 Dy 0.69528 0.68497 0.38025 1.00000
  Dy6 Dy 0.30472 0.31503 0.61975 1.00000
  Dy7 Dy 0.30472 0.68497 0.98969 1.00000
  Dy8 Dy 0.69528 0.31503 0.01031 1.00000
  Dy9 Dy 0.80742 0.59987 0.79245 1.00000
  Dy10 Dy 0.19258 0.40013 0.20755 1.00000
  Dy11 Dy 0.19258 0.98504 0.79245 1.00000
  Dy12 Dy 0.80742 0.01496 0.20755 1.00000
  Cd1 Cd 0.00000 0.50000 0.50000 1.00000
  Co1 Co 0.62188 0.62188 0.00000 1.00000
  Co2 Co 0.37812 0.37812 1.00000 1.00000
  Co3 Co 0.50000 0.11302 0.61302 1.00000
  Co4 Co 0.50000 0.88698 0.38698 1.00000
  Co5 Co 0.00000 0.00000 0.00000 1.00000
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