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Ce3(RhPb)2

Alexandria ALEX

Alex-ID: agm009397453 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ce3(RhPb)2
Alex-ID
agm009397453
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
177.10
ų
Cell a
12.1547
Å
Cell b
12.1547
Å
Cell c
3.7819
Å
α angle
90.00
°
β angle
90.00
°
γ angle
161.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce3(RhPb)2
Ce
3.00 · 42.9%
Rh
2.00 · 28.6%
Pb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0176
eV/atom
Formation energy
-0.6423
eV/atom
Corrected total energy
-44.4172
eV
Raw total energy
-44.4172
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
13.6904
Total magnetisation
1.1490
μB

Additional Information

Prototype ID

A2B2C3_51_spg65

Decomposition

Ce5(RhPb2)2 Ce2Rh2Pb

Computed at

2025-04-19 04:01:31

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: agm009397453).

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 agm009397453
data_agm009397453
_cell_length_a     12.15466
_cell_length_b     12.15466
_cell_length_c     3.78192
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  161.52017
_cell_volume       177.09935
_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 0.17939 0.82061 0.00000 1.00000
  Ce2 Ce 0.00000 0.00000 0.00000 1.00000
  Ce3 Ce 0.82061 0.17939 0.00000 1.00000
  Rh1 Rh 0.29429 0.70571 0.50000 1.00000
  Rh2 Rh 0.70571 0.29429 0.50000 1.00000
  Pb1 Pb 0.41316 0.58684 0.50000 1.00000
  Pb2 Pb 0.58684 0.41316 0.50000 1.00000
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