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CeYCd4

Alexandria ALEX

Alex-ID: agm005759789 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
CeYCd4
Alex-ID
agm005759789
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
149.48
ų
Cell a
5.0555
Å
Cell b
6.0717
Å
Cell c
6.0717
Å
α angle
91.57
°
β angle
65.40
°
γ angle
65.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeYCd4
Ce
1.00 · 16.7%
Y
1.00 · 16.7%
Cd
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0231
eV/atom
Formation energy
-0.2697
eV/atom
Corrected total energy
-17.7096
eV
Raw total energy
-17.7096
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
8.8902
Total magnetisation
1.3020
μB

Additional Information

Prototype ID

ABC4_684_spg1

Decomposition

Ce4YCd10 YCd2

Computed at

2023-07-31 15:20:01.802360

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: agm005759789).

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 agm005759789
data_agm005759789
_cell_length_a     5.05552
_cell_length_b     6.07170
_cell_length_c     6.07170
_cell_angle_alpha  91.57483
_cell_angle_beta   65.40466
_cell_angle_gamma  65.40467
_cell_volume       149.47961
_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 0.99997 0.00000 0.00000 1.00000
  Y1 Y 0.49998 0.50000 0.50000 1.00000
  Cd1 Cd 0.74749 0.58576 0.91919 1.00000
  Cd2 Cd 0.74749 0.91919 0.58576 1.00000
  Cd3 Cd 0.25246 0.41424 0.08081 1.00000
  Cd4 Cd 0.25246 0.08081 0.41424 1.00000
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