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Sn8Bi4Au

Alexandria ALEX

Alex-ID: agm097823908 · Space group: P1 (#1)

Basic Information

Formula
Sn8Bi4Au
Alex-ID
agm097823908
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
389.32
ų
Cell a
5.9455
Å
Cell b
8.7466
Å
Cell c
8.6298
Å
α angle
119.52
°
β angle
94.41
°
γ angle
88.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sn8Bi4Au
Sn
8.00 · 61.5%
Bi
4.00 · 30.8%
Au
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0866
eV/atom
Formation energy
0.0550
eV/atom
Corrected total energy
-50.1091
eV
Raw total energy
-50.1091
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5980
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1330_spg6

Decomposition

Sn2Au Sn Bi

Computed at

2025-06-19 02:01:03

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: agm097823908).

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 agm097823908
data_agm097823908
_cell_length_a     5.94553
_cell_length_b     8.74663
_cell_length_c     8.62977
_cell_angle_alpha  119.52086
_cell_angle_beta   94.41069
_cell_angle_gamma  88.52424
_cell_volume       389.32025
_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 0.32569 0.12457 0.34795 1.00000
  Sn2 Sn 0.41036 0.16363 0.78609 1.00000
  Sn3 Sn 0.30010 0.73438 0.34328 1.00000
  Sn4 Sn 0.27290 0.66008 0.86155 1.00000
  Sn5 Sn 0.59767 0.37968 0.21326 1.00000
  Sn6 Sn 0.67140 0.39638 0.65175 1.00000
  Sn7 Sn 0.70001 0.78748 0.15879 1.00000
  Sn8 Sn 0.66316 0.77586 0.64198 1.00000
  Bi1 Bi 0.03244 0.02861 0.98354 1.00000
  Bi2 Bi 0.92504 0.02760 0.54532 1.00000
  Bi3 Bi 0.99154 0.44177 0.99645 1.00000
  Bi4 Bi 0.06313 0.47793 0.45980 1.00000
  Au1 Au 0.54654 0.00202 0.01023 1.00000
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