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Bi10Rh3Pb4

Alexandria ALEX

Alex-ID: agm008331602 · Space group: C2/m (#12)

Basic Information

Formula
Bi10Rh3Pb4
Alex-ID
agm008331602
Elements
3
Sites
17
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
525.87
ų
Cell a
5.6174
Å
Cell b
5.6174
Å
Cell c
17.3913
Å
α angle
85.08
°
β angle
85.08
°
γ angle
104.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Bi10Rh3Pb4
Bi
10.00 · 58.8%
Rh
3.00 · 17.6%
Pb
4.00 · 23.5%

Energy & Stability

Energy above hull
0.1650
eV/atom
Formation energy
0.0436
eV/atom
Corrected total energy
-74.9554
eV
Raw total energy
-74.9554
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.3024
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C10_36_spg12

Decomposition

Bi4Rh Bi2Rh Pb

Computed at

2024-03-07 18:29:37.260476

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: agm008331602).

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 agm008331602
data_agm008331602
_cell_length_a     5.61742
_cell_length_b     5.61742
_cell_length_c     17.39129
_cell_angle_alpha  85.07743
_cell_angle_beta   85.07743
_cell_angle_gamma  104.57752
_cell_volume       525.87125
_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 0.39899 0.81272 0.71676 1.00000
  Bi2 Bi 0.73547 0.73547 0.86897 1.00000
  Bi3 Bi 0.81272 0.39899 0.71676 1.00000
  Bi4 Bi 0.60101 0.18728 0.28324 1.00000
  Bi5 Bi 0.18728 0.60101 0.28324 1.00000
  Bi6 Bi 0.26453 0.26453 0.13103 1.00000
  Bi7 Bi 0.81969 0.81969 0.57507 1.00000
  Bi8 Bi 0.18031 0.18031 0.42493 1.00000
  Bi9 Bi 0.50000 0.00000 0.00000 1.00000
  Bi10 Bi 0.00000 0.50000 0.00000 1.00000
  Rh1 Rh 0.95312 0.95312 0.72127 1.00000
  Rh2 Rh 0.04688 0.04688 0.27873 1.00000
  Rh3 Rh 0.00000 0.00000 0.00000 1.00000
  Pb1 Pb 0.23366 0.23366 0.84190 1.00000
  Pb2 Pb 0.76634 0.76634 0.15810 1.00000
  Pb3 Pb 0.69297 0.69297 0.39258 1.00000
  Pb4 Pb 0.30703 0.30703 0.60742 1.00000
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