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Bi4Rh

Alexandria ALEX

Alex-ID: agm069933596 · Space group: P2_1/c (#14)

Alexandria Database API

Basic Information

Formula
Bi4Rh
Alex-ID
agm069933596
Elements
2
Sites
20
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
594.79
ų
Cell a
4.3915
Å
Cell b
8.2369
Å
Cell c
16.5961
Å
α angle
89.94
°
β angle
90.06
°
γ angle
97.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Bi4Rh
Bi
16.00 · 80.0%
Rh
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0270
eV/atom
Formation energy
-0.1158
eV/atom
Corrected total energy
-93.8181
eV
Raw total energy
-93.8180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0244
eV
DOS at Fermi level
9.7446
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_2332_spg14

Decomposition

Bi4Rh

Computed at

2025-03-24 08:17:35

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: agm069933596).

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 agm069933596
data_agm069933596
_cell_length_a     4.39153
_cell_length_b     8.23688
_cell_length_c     16.59606
_cell_angle_alpha  89.94125
_cell_angle_beta   90.06367
_cell_angle_gamma  97.78310
_cell_volume       594.79036
_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 0.83061 0.75980 0.68535 1.00000
  Bi2 Bi 0.32153 0.27362 0.99247 1.00000
  Bi3 Bi 0.23063 0.92720 0.87295 1.00000
  Bi4 Bi 0.23637 0.42426 0.62715 1.00000
  Bi5 Bi 0.32662 0.77126 0.50768 1.00000
  Bi6 Bi 0.76845 0.57345 0.37296 1.00000
  Bi7 Bi 0.17135 0.73961 0.18533 1.00000
  Bi8 Bi 0.76431 0.07497 0.12721 1.00000
  Bi9 Bi 0.67325 0.72875 0.00757 1.00000
  Bi10 Bi 0.82374 0.26239 0.81477 1.00000
  Bi11 Bi 0.67832 0.22635 0.49239 1.00000
  Bi12 Bi 0.17475 0.23827 0.31469 1.00000
  Bi13 Bi 0.41433 0.04485 0.67127 1.00000
  Bi14 Bi 0.59115 0.95323 0.32844 1.00000
  Bi15 Bi 0.58767 0.45468 0.17145 1.00000
  Bi16 Bi 0.40718 0.54731 0.82814 1.00000
  Rh1 Rh 0.23639 0.42952 0.45316 1.00000
  Rh2 Rh 0.76873 0.56814 0.54693 1.00000
  Rh3 Rh 0.76317 0.07065 0.95322 1.00000
  Rh4 Rh 0.23145 0.93169 0.04688 1.00000
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