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Bi2RhPb2

Alexandria ALEX

Alex-ID: agm003010772 · Space group: P4/mbm (#127)

Basic Information

Formula
Bi2RhPb2
Alex-ID
agm003010772
Elements
3
Sites
10
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
290.28
ų
Cell a
7.1300
Å
Cell b
7.1300
Å
Cell c
5.7101
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Bi2RhPb2
Pb
4.00 · 40.0%
Rh
2.00 · 20.0%
Bi
4.00 · 40.0%

Energy & Stability

Energy above hull
0.2190
eV/atom
Formation energy
0.0920
eV/atom
Corrected total energy
-44.1405
eV
Raw total energy
-44.1405
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5566
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_35_spg127

Decomposition

Bi2Rh Pb

Computed at

2016-12-05 06:11:43

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: agm003010772).

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 agm003010772
data_agm003010772
_cell_length_a     7.12997
_cell_length_b     7.12997
_cell_length_c     5.71012
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       290.28261
_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
  Pb1 Pb 0.17037 0.67037 0.50000 1.00000
  Pb2 Pb 0.67037 0.82963 0.50000 1.00000
  Pb3 Pb 0.82963 0.32963 0.50000 1.00000
  Pb4 Pb 0.32963 0.17037 0.50000 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.50000 0.50000 0.00000 1.00000
  Bi1 Bi 0.34694 0.84694 0.00000 1.00000
  Bi2 Bi 0.84694 0.65306 0.00000 1.00000
  Bi3 Bi 0.65306 0.15306 0.00000 1.00000
  Bi4 Bi 0.15306 0.34694 0.00000 1.00000
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