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Sn8SbAu4

Alexandria ALEX

Alex-ID: agm097954256 · Space group: P1 (#1)

Basic Information

Formula
Sn8SbAu4
Alex-ID
agm097954256
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
336.36
ų
Cell a
4.3596
Å
Cell b
10.0620
Å
Cell c
9.4475
Å
α angle
65.07
°
β angle
76.15
°
γ angle
63.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sn8SbAu4
Sn
8.00 · 61.5%
Sb
1.00 · 7.7%
Au
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0630
eV/atom
Formation energy
-0.0635
eV/atom
Corrected total energy
-50.0804
eV
Raw total energy
-50.0804
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.3771
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1189_spg1

Decomposition

Sn2Au Sb

Computed at

2025-06-22 13:31:55

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: agm097954256).

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 agm097954256
data_agm097954256
_cell_length_a     4.35960
_cell_length_b     10.06201
_cell_length_c     9.44747
_cell_angle_alpha  65.07193
_cell_angle_beta   76.15072
_cell_angle_gamma  63.75624
_cell_volume       336.36199
_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 0.55338 0.31216 0.03447 1.00000
  Sn2 Sn 0.62923 0.63123 0.26681 1.00000
  Sn3 Sn 0.89416 0.65640 0.67135 1.00000
  Sn4 Sn 0.44712 0.10929 0.66287 1.00000
  Sn5 Sn 0.71386 0.97955 0.36478 1.00000
  Sn6 Sn 0.94024 0.25910 0.33638 1.00000
  Sn7 Sn 0.66649 0.38935 0.66763 1.00000
  Sn8 Sn 0.17690 0.73825 0.93659 1.00000
  Sb1 Sb 0.35108 0.98404 0.10532 1.00000
  Au1 Au 0.87753 0.06543 0.88964 1.00000
  Au2 Au 0.85620 0.52286 0.00771 1.00000
  Au3 Au 0.20271 0.46221 0.45271 1.00000
  Au4 Au 0.19110 0.89013 0.60373 1.00000
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