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Ce8Rh2Pb

Alexandria ALEX

Alex-ID: agm003520007 · Space group: C2/m (#12)

Basic Information

Formula
Ce8Rh2Pb
Alex-ID
agm003520007
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
292.31
ų
Cell a
5.3266
Å
Cell b
8.3721
Å
Cell c
7.9479
Å
α angle
58.22
°
β angle
82.67
°
γ angle
75.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8Rh2Pb
Ce
8.00 · 72.7%
Rh
2.00 · 18.2%
Pb
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0932
eV/atom
Formation energy
-0.2916
eV/atom
Corrected total energy
-69.0898
eV
Raw total energy
-69.0898
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
32.0743
Total magnetisation
3.7348
μB

Additional Information

Prototype ID

AB2C8_295_spg12

Decomposition

Ce3Pb CeRh Ce

Computed at

2022-03-17 08:46:59.122308

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: agm003520007).

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 agm003520007
data_agm003520007
_cell_length_a     5.32657
_cell_length_b     8.37206
_cell_length_c     7.94785
_cell_angle_alpha  58.21811
_cell_angle_beta   82.66966
_cell_angle_gamma  75.98064
_cell_volume       292.31227
_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 0.93433 0.08049 0.21107 1.00000
  Ce2 Ce 0.93433 0.29156 0.78893 1.00000
  Ce3 Ce 0.31018 0.41677 1.00000 1.00000
  Ce4 Ce 0.50000 0.74394 0.51212 1.00000
  Ce5 Ce 0.50000 0.25606 0.48788 1.00000
  Ce6 Ce 0.68982 0.58323 0.00000 1.00000
  Ce7 Ce 0.06567 0.70844 0.21107 1.00000
  Ce8 Ce 0.06567 0.91951 0.78893 1.00000
  Rh1 Rh 1.00000 0.30020 0.39959 1.00000
  Rh2 Rh 0.00000 0.69980 0.60041 1.00000
  Pb1 Pb 0.50000 0.00000 0.00000 1.00000
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