Navigation

HEAS Data Platform · Materials Science Database

Ga9SnSb2

Alexandria ALEX

Alex-ID: agm101324166 · Space group: C2 (#5)

Basic Information

Formula
Ga9SnSb2
Alex-ID
agm101324166
Elements
3
Sites
12
Space group
C2 (#5)
Crystal system
monoclinic
Volume
266.26
ų
Cell a
3.1123
Å
Cell b
10.6820
Å
Cell c
9.6296
Å
α angle
123.70
°
β angle
91.05
°
γ angle
90.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga9SnSb2
Ga
9.00 · 75.0%
Sn
1.00 · 8.3%
Sb
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1132
eV/atom
Formation energy
0.0591
eV/atom
Corrected total energy
-38.8025
eV
Raw total energy
-38.8025
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2651
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C9_210_spg65

Decomposition

Ga Sn GaSb

Computed at

2025-05-19 16:35:42

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: agm101324166).

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 agm101324166
data_agm101324166
_cell_length_a     3.11227
_cell_length_b     10.68195
_cell_length_c     9.62963
_cell_angle_alpha  123.70402
_cell_angle_beta   91.05240
_cell_angle_gamma  90.03958
_cell_volume       266.26021
_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
  Ga1 Ga 0.51803 0.88930 0.20908 1.00000
  Ga2 Ga 0.00150 0.62071 0.00005 1.00000
  Ga3 Ga 0.97872 0.47551 0.50560 1.00000
  Ga4 Ga 0.49793 0.30967 0.16779 1.00000
  Ga5 Ga 0.49978 0.14188 0.83192 1.00000
  Ga6 Ga 0.47964 0.19959 0.37524 1.00000
  Ga7 Ga 0.48355 0.67992 0.79093 1.00000
  Ga8 Ga 0.02113 0.97020 0.49435 1.00000
  Ga9 Ga 0.51906 0.82445 0.62492 1.00000
  Sn1 Sn 0.00048 0.98000 0.99982 1.00000
  Sb1 Sb 0.07181 0.59930 0.28993 1.00000
  Sb2 Sb 0.92838 0.30947 0.71039 1.00000
Get direct link