Navigation

HEAS Data Platform · Materials Science Database

CeCdCu

Alexandria ALEX

Alex-ID: agm016621166 · Space group: Cmcm (#63)

Basic Information

Formula
CeCdCu
Alex-ID
agm016621166
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
134.34
ų
Cell a
8.7298
Å
Cell b
8.7298
Å
Cell c
4.4327
Å
α angle
90.00
°
β angle
90.00
°
γ angle
156.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeCdCu
Ce
2.00 · 33.3%
Cd
2.00 · 33.3%
Cu
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0304
eV/atom
Formation energy
-0.1453
eV/atom
Corrected total energy
-22.9065
eV
Raw total energy
-22.9065
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0039
eV
DOS at Fermi level
10.7596
Total magnetisation
1.4800
μB

Additional Information

Prototype ID

ABC_152_spg63

Decomposition

CeCu2 CeCd2

Computed at

2025-04-16 00:31:22

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: agm016621166).

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 agm016621166
data_agm016621166
_cell_length_a     8.72983
_cell_length_b     8.72983
_cell_length_c     4.43266
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  156.56659
_cell_volume       134.34228
_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 0.90255 0.09745 0.75000 1.00000
  Ce2 Ce 0.09745 0.90255 0.25000 1.00000
  Cd1 Cd 0.29305 0.70695 0.25000 1.00000
  Cd2 Cd 0.70695 0.29305 0.75000 1.00000
  Cu1 Cu 0.54080 0.45920 0.75000 1.00000
  Cu2 Cu 0.45920 0.54080 0.25000 1.00000
Get direct link