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Ce8AlRh2

Alexandria ALEX

Alex-ID: agm003520008 · Space group: C2/m (#12)

Basic Information

Formula
Ce8AlRh2
Alex-ID
agm003520008
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
279.40
ų
Cell a
7.1345
Å
Cell b
6.5239
Å
Cell c
6.5239
Å
α angle
88.34
°
β angle
106.28
°
γ angle
106.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8AlRh2
Ce
8.00 · 72.7%
Al
1.00 · 9.1%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1630
eV/atom
Formation energy
-0.2127
eV/atom
Corrected total energy
-68.2587
eV
Raw total energy
-68.2587
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
26.8422
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C8_338_spg12

Decomposition

CeAlRh Ce CeRh

Computed at

2022-03-13 17:59:29.626060

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: agm003520008).

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 agm003520008
data_agm003520008
_cell_length_a     7.13447
_cell_length_b     6.52393
_cell_length_c     6.52393
_cell_angle_alpha  88.33917
_cell_angle_beta   106.27622
_cell_angle_gamma  106.27622
_cell_volume       279.39778
_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 0.29118 0.35662 0.78501 1.00000
  Ce2 Ce 0.70882 0.21499 0.64338 1.00000
  Ce3 Ce 0.17720 0.74600 0.74600 1.00000
  Ce4 Ce 0.82280 0.25400 0.25400 1.00000
  Ce5 Ce 0.29118 0.78501 0.35662 1.00000
  Ce6 Ce 0.70882 0.64338 0.21499 1.00000
  Ce7 Ce 0.75064 0.64415 0.64415 1.00000
  Ce8 Ce 0.24936 0.35585 0.35585 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.60292 0.89509 0.89509 1.00000
  Rh2 Rh 0.39708 0.10491 0.10491 1.00000
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