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Bi5Rh

Alexandria ALEX

Alex-ID: agm005546418 · Space group: C2/m (#12)

Basic Information

Formula
Bi5Rh
Alex-ID
agm005546418
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
179.23
ų
Cell a
3.4113
Å
Cell b
6.7915
Å
Cell c
9.2928
Å
α angle
59.54
°
β angle
79.42
°
γ angle
75.45
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Bi5Rh
Bi
5.00 · 83.3%
Rh
1.00 · 16.7%

Energy & Stability

Energy above hull
0.1127
eV/atom
Formation energy
-0.0063
eV/atom
Corrected total energy
-26.7938
eV
Raw total energy
-26.7938
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0513
eV
DOS at Fermi level
3.1651
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_183_spg12

Decomposition

Bi4Rh Bi

Computed at

2023-05-29 06:31:05.532078

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: agm005546418).

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 agm005546418
data_agm005546418
_cell_length_a     3.41135
_cell_length_b     6.79147
_cell_length_c     9.29277
_cell_angle_alpha  59.54276
_cell_angle_beta   79.42348
_cell_angle_gamma  75.45446
_cell_volume       179.22925
_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
  Bi1 Bi 0.93971 0.08748 0.03311 1.00000
  Bi2 Bi 0.30554 0.00050 0.38842 1.00000
  Bi3 Bi 0.67184 0.91207 0.74426 1.00000
  Bi4 Bi 0.66999 0.52001 0.14001 1.00000
  Bi5 Bi 0.94083 0.48022 0.63811 1.00000
  Rh1 Rh 0.30543 0.49971 0.88943 1.00000
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