Navigation

HEAS Data Platform · Materials Science Database

Cd2Co

Alexandria ALEX

Alex-ID: agm005447217 · Space group: C2/m (#12)

Basic Information

Formula
Cd2Co
Alex-ID
agm005447217
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
107.40
ų
Cell a
5.4723
Å
Cell b
5.4723
Å
Cell c
7.2389
Å
α angle
68.39
°
β angle
68.39
°
γ angle
32.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd2Co
Cd
4.00 · 66.7%
Co
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2024
eV/atom
Formation energy
0.2024
eV/atom
Corrected total energy
-16.7271
eV
Raw total energy
-16.7271
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0057
eV
DOS at Fermi level
4.1914
Total magnetisation
3.3118
μB

Additional Information

Prototype ID

AB2_200_spg12

Decomposition

Co Cd

Computed at

2023-03-20 14:56:40.622197

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: agm005447217).

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 agm005447217
data_agm005447217
_cell_length_a     5.47233
_cell_length_b     5.47233
_cell_length_c     7.23888
_cell_angle_alpha  68.38940
_cell_angle_beta   68.38940
_cell_angle_gamma  32.44419
_cell_volume       107.40150
_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
  Cd1 Cd 0.52624 0.52624 0.78240 1.00000
  Cd2 Cd 0.83667 0.83667 0.62149 1.00000
  Cd3 Cd 0.16333 0.16333 0.37851 1.00000
  Cd4 Cd 0.47376 0.47376 0.21760 1.00000
  Co1 Co 0.81373 0.81373 0.04921 1.00000
  Co2 Co 0.18627 0.18627 0.95079 1.00000
Get direct link