Navigation

HEAS Data Platform · Materials Science Database

Ce2BiRh2

Alexandria ALEX

Alex-ID: agm003405136 · Space group: R-3m (#166)

Basic Information

Formula
Ce2BiRh2
Alex-ID
agm003405136
Elements
3
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
105.71
ų
Cell a
4.7611
Å
Cell b
4.7611
Å
Cell c
6.0458
Å
α angle
66.81
°
β angle
66.81
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2BiRh2
Ce
2.00 · 40.0%
Bi
1.00 · 20.0%
Rh
2.00 · 40.0%

Energy & Stability

Energy above hull
0.1645
eV/atom
Formation energy
-0.6453
eV/atom
Corrected total energy
-33.6782
eV
Raw total energy
-33.6782
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.9781
Total magnetisation
0.7812
μB

Additional Information

Prototype ID

AB2C2_9_spg166

Decomposition

Ce2BiRh2

Computed at

2022-02-11 19:05:07.742057

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: agm003405136).

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 agm003405136
data_agm003405136
_cell_length_a     4.76106
_cell_length_b     4.76106
_cell_length_c     6.04583
_cell_angle_alpha  66.81211
_cell_angle_beta   66.81211
_cell_angle_gamma  60.00000
_cell_volume       105.70833
_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 0.70958 0.70958 0.87125 1.00000
  Ce2 Ce 0.29042 0.29042 0.12875 1.00000
  Bi1 Bi 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.91226 0.91226 0.26321 1.00000
  Rh2 Rh 0.08774 0.08774 0.73679 1.00000
Get direct link