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DyCdCo

Alexandria ALEX

Alex-ID: agm003607222 · Space group: R-3m (#166)

Basic Information

Formula
DyCdCo
Alex-ID
agm003607222
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
128.66
ų
Cell a
4.5780
Å
Cell b
4.5812
Å
Cell c
7.5604
Å
α angle
107.65
°
β angle
90.00
°
γ angle
119.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyCdCo
Dy
2.00 · 33.3%
Cd
2.00 · 33.3%
Co
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2282
eV/atom
Formation energy
-0.0411
eV/atom
Corrected total energy
-25.5489
eV
Raw total energy
-25.5489
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0130
eV
DOS at Fermi level
3.4913
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_658_spg166

Decomposition

DyCdCo

Computed at

2022-03-06 14:54:42.747819

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: agm003607222).

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 agm003607222
data_agm003607222
_cell_length_a     4.57798
_cell_length_b     4.58121
_cell_length_c     7.56042
_cell_angle_alpha  107.65487
_cell_angle_beta   90.00000
_cell_angle_gamma  119.97670
_cell_volume       128.65772
_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 0.74873 0.49746 0.24562 1.00000
  Dy2 Dy 0.25127 0.50254 0.75438 1.00000
  Cd1 Cd 0.50000 0.00000 0.50000 1.00000
  Cd2 Cd 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.12808 0.25616 0.38261 1.00000
  Co2 Co 0.87192 0.74384 0.61739 1.00000
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