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Ce2HoCd8

Alexandria ALEX

Alex-ID: agm005986115 · Space group: C2/m (#12)

Basic Information

Formula
Ce2HoCd8
Alex-ID
agm005986115
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
277.66
ų
Cell a
5.3491
Å
Cell b
6.5376
Å
Cell c
8.9953
Å
α angle
111.34
°
β angle
107.34
°
γ angle
89.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2HoCd8
Ho
1.00 · 9.1%
Ce
2.00 · 18.2%
Cd
8.00 · 72.7%

Energy & Stability

Energy above hull
0.0855
eV/atom
Formation energy
-0.1556
eV/atom
Corrected total energy
-25.5469
eV
Raw total energy
-25.5468
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
17.7973
Total magnetisation
1.5818
μB

Additional Information

Prototype ID

AB2C8_284_spg12

Decomposition

CeCd3 HoCd3 CeCd2

Computed at

2023-10-10 03:48:21.065844

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: agm005986115).

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 agm005986115
data_agm005986115
_cell_length_a     5.34914
_cell_length_b     6.53759
_cell_length_c     8.99529
_cell_angle_alpha  111.34452
_cell_angle_beta   107.33932
_cell_angle_gamma  89.89145
_cell_volume       277.66178
_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
  Ho1 Ho 0.50000 0.00000 0.00000 1.00000
  Ce1 Ce 0.69046 0.69046 0.38093 1.00000
  Ce2 Ce 0.30954 0.30954 0.61907 1.00000
  Cd1 Cd 0.13190 0.35091 0.25023 1.00000
  Cd2 Cd 0.88168 0.10069 0.74977 1.00000
  Cd3 Cd 0.74796 0.48158 1.00000 1.00000
  Cd4 Cd 0.69833 0.19833 0.39667 1.00000
  Cd5 Cd 0.30167 0.80167 0.60333 1.00000
  Cd6 Cd 0.25204 0.51842 0.00000 1.00000
  Cd7 Cd 0.11832 0.89931 0.25023 1.00000
  Cd8 Cd 0.86810 0.64909 0.74977 1.00000
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