Navigation

HEAS Data Platform · Materials Science Database

Ce5Cd3

Alexandria ALEX

Alex-ID: agm005535161 · Space group: C2/m (#12)

Basic Information

Formula
Ce5Cd3
Alex-ID
agm005535161
Elements
2
Sites
16
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
421.88
ų
Cell a
5.8113
Å
Cell b
8.2498
Å
Cell c
9.5334
Å
α angle
85.69
°
β angle
72.25
°
γ angle
75.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5Cd3
Ce
10.00 · 62.5%
Cd
6.00 · 37.5%

Energy & Stability

Energy above hull
0.0663
eV/atom
Formation energy
-0.0741
eV/atom
Corrected total energy
-66.0654
eV
Raw total energy
-66.0654
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
39.5582
Total magnetisation
4.3000
μB

Additional Information

Prototype ID

A3B5_0_spg140

Decomposition

Ce2Cd3 Ce

Computed at

2023-05-28 02:37:34.952017

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: agm005535161).

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 agm005535161
data_agm005535161
_cell_length_a     5.81125
_cell_length_b     8.24977
_cell_length_c     9.53335
_cell_angle_alpha  85.69372
_cell_angle_beta   72.25474
_cell_angle_gamma  75.73756
_cell_volume       421.88083
_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 0.74888 0.59289 0.50000 1.00000
  Ce2 Ce 0.25194 0.40627 0.50000 1.00000
  Ce3 Ce 0.24794 0.68944 0.84251 1.00000
  Ce4 Ce 0.75289 0.30974 0.15748 1.00000
  Ce5 Ce 0.39858 0.14170 0.29505 1.00000
  Ce6 Ce 0.60221 0.85746 0.70496 1.00000
  Ce7 Ce 0.41036 0.30974 0.84252 1.00000
  Ce8 Ce 0.59045 0.68944 0.15749 1.00000
  Ce9 Ce 0.80718 0.85746 0.29504 1.00000
  Ce10 Ce 0.19363 0.14170 0.70495 1.00000
  Cd1 Cd 0.23087 0.99958 0.03913 1.00000
  Cd2 Cd 0.77000 0.99958 0.96087 1.00000
  Cd3 Cd 0.80140 0.17754 0.50000 1.00000
  Cd4 Cd 0.19949 0.82161 0.50000 1.00000
  Cd5 Cd 0.83268 0.49958 0.83550 1.00000
  Cd6 Cd 0.16817 0.49958 0.16450 1.00000
Get direct link