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Sn2Bi2Rh3

Alexandria ALEX

Alex-ID: agm017647919 · Space group: C2/m (#12)

Basic Information

Formula
Sn2Bi2Rh3
Alex-ID
agm017647919
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
159.22
ų
Cell a
7.0940
Å
Cell b
7.0940
Å
Cell c
6.4136
Å
α angle
66.56
°
β angle
113.44
°
γ angle
147.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sn2Bi2Rh3
Sn
2.00 · 28.6%
Bi
2.00 · 28.6%
Rh
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0534
eV/atom
Formation energy
-0.3124
eV/atom
Corrected total energy
-40.0084
eV
Raw total energy
-40.0084
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.2471
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_0_spg12

Decomposition

Bi2Rh SnRh

Computed at

2025-04-19 03:54:07

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: agm017647919).

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 agm017647919
data_agm017647919
_cell_length_a     7.09397
_cell_length_b     7.09397
_cell_length_c     6.41362
_cell_angle_alpha  66.56204
_cell_angle_beta   113.43796
_cell_angle_gamma  147.17400
_cell_volume       159.21524
_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
  Sn1 Sn 0.39476 0.60524 0.72170 1.00000
  Sn2 Sn 0.60524 0.39476 0.27830 1.00000
  Bi1 Bi 0.85098 0.14902 0.18580 1.00000
  Bi2 Bi 0.14902 0.85098 0.81420 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.75597 0.24403 0.69588 1.00000
  Rh3 Rh 0.24403 0.75597 0.30412 1.00000
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