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Ce(Cd2Cu)4

Alexandria ALEX

Alex-ID: agm097653473 · Space group: Pm (#6)

Basic Information

Formula
Ce(Cd2Cu)4
Alex-ID
agm097653473
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
258.15
ų
Cell a
3.1783
Å
Cell b
9.8879
Å
Cell c
9.7134
Å
α angle
57.74
°
β angle
89.76
°
γ angle
89.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(Cd2Cu)4
Ce
1.00 · 7.7%
Cd
8.00 · 61.5%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1532
eV/atom
Formation energy
0.0615
eV/atom
Corrected total energy
-29.1626
eV
Raw total energy
-29.1626
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0089
eV
DOS at Fermi level
9.2847
Total magnetisation
1.1406
μB

Additional Information

Prototype ID

AB4C8_1473_spg6

Decomposition

CeCdCu4 CeCd11 Cu

Computed at

2025-06-13 18:37:03

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: agm097653473).

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 agm097653473
data_agm097653473
_cell_length_a     3.17826
_cell_length_b     9.88786
_cell_length_c     9.71343
_cell_angle_alpha  57.74485
_cell_angle_beta   89.75860
_cell_angle_gamma  89.75151
_cell_volume       258.14596
_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 0.72861 0.08376 0.07023 1.00000
  Cd1 Cd 0.22889 0.08076 0.38819 1.00000
  Cd2 Cd 0.73217 0.63417 0.03555 1.00000
  Cd3 Cd 0.73466 0.78947 0.46947 1.00000
  Cd4 Cd 0.22929 0.25012 0.70440 1.00000
  Cd5 Cd 0.23155 0.71508 0.24978 1.00000
  Cd6 Cd 0.72444 0.34869 0.35820 1.00000
  Cd7 Cd 0.73726 0.47459 0.80925 1.00000
  Cd8 Cd 0.23356 0.78754 0.73209 1.00000
  Cu1 Cu 0.23026 0.92296 0.91823 1.00000
  Cu2 Cu 0.23032 0.36327 0.08699 1.00000
  Cu3 Cu 0.72875 0.50374 0.51234 1.00000
  Cu4 Cu 0.73023 0.04584 0.66528 1.00000
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