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CeDyCo

Alexandria ALEX

Alex-ID: agm005652385 · Space group: P2_1/c (#14)

Basic Information

Formula
CeDyCo
Alex-ID
agm005652385
Elements
3
Sites
12
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
298.64
ų
Cell a
6.9093
Å
Cell b
6.8417
Å
Cell c
7.0200
Å
α angle
64.15
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDyCo
Ce
4.00 · 33.3%
Dy
4.00 · 33.3%
Co
4.00 · 33.3%

Energy & Stability

Energy above hull
0.1296
eV/atom
Formation energy
-0.0717
eV/atom
Corrected total energy
-71.5060
eV
Raw total energy
-71.5060
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0244
eV
DOS at Fermi level
17.8174
Total magnetisation
-0.0124
μB

Additional Information

Prototype ID

ABC_48_spg14

Decomposition

CeDy2Co CeCo

Computed at

2023-06-17 06:37:12.962713

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: agm005652385).

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 agm005652385
data_agm005652385
_cell_length_a     6.90934
_cell_length_b     6.84175
_cell_length_c     7.02002
_cell_angle_alpha  64.14815
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       298.63984
_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
  Ce1 Ce 0.69238 0.75715 0.04855 1.00000
  Ce2 Ce 0.30762 0.24285 0.95145 1.00000
  Ce3 Ce 0.19238 0.24285 0.45145 1.00000
  Ce4 Ce 0.80762 0.75715 0.54855 1.00000
  Dy1 Dy 0.17817 0.72709 0.91717 1.00000
  Dy2 Dy 0.32183 0.72709 0.41717 1.00000
  Dy3 Dy 0.82183 0.27291 0.08283 1.00000
  Dy4 Dy 0.67817 0.27291 0.58283 1.00000
  Co1 Co 0.53271 0.51839 0.80843 1.00000
  Co2 Co 0.46729 0.48161 0.19157 1.00000
  Co3 Co 0.96729 0.51839 0.30843 1.00000
  Co4 Co 0.03271 0.48161 0.69157 1.00000
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