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CeHo5Cd6

Alexandria ALEX

Alex-ID: agm006088059 · Space group: Immm (#71)

Basic Information

Formula
CeHo5Cd6
Alex-ID
agm006088059
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
314.65
ų
Cell a
5.2571
Å
Cell b
7.5829
Å
Cell c
9.1423
Å
α angle
114.50
°
β angle
106.71
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHo5Cd6
Ho
5.00 · 41.7%
Ce
1.00 · 8.3%
Cd
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0204
eV/atom
Formation energy
-0.2702
eV/atom
Corrected total energy
-37.6099
eV
Raw total energy
-37.6099
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
18.9804
Total magnetisation
2.2956
μB

Additional Information

Prototype ID

AB5C6_55_spg71

Decomposition

Ce2Cd3 HoCd Ce

Computed at

2023-08-21 21:18:11.840016

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: agm006088059).

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 agm006088059
data_agm006088059
_cell_length_a     5.25715
_cell_length_b     7.58292
_cell_length_c     9.14234
_cell_angle_alpha  114.50164
_cell_angle_beta   106.70972
_cell_angle_gamma  89.99911
_cell_volume       314.64563
_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 0.66114 0.16114 0.32228 1.00000
  Ho2 Ho 0.33121 0.33121 0.66242 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
  Ho4 Ho 0.66879 0.66879 0.33758 1.00000
  Ho5 Ho 0.33886 0.83886 0.67772 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.82953 0.57095 0.65905 1.00000
  Cd2 Cd 0.82953 0.08810 0.65905 1.00000
  Cd3 Cd 0.49998 0.73400 0.00000 1.00000
  Cd4 Cd 0.50002 0.26600 1.00000 1.00000
  Cd5 Cd 0.17047 0.91190 0.34095 1.00000
  Cd6 Cd 0.17047 0.42905 0.34095 1.00000
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