Navigation

HEAS Data Platform · Materials Science Database

Sr4Ga13Au9

Alexandria ALEX

Alex-ID: agm008602993 · Space group: P-6m2 (#187)

Alexandria Database API

Basic Information

Formula
Sr4Ga13Au9
Alex-ID
agm008602993
Elements
3
Sites
26
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
548.51
ų
Cell a
12.0312
Å
Cell b
12.0312
Å
Cell c
4.3756
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Ga13Au9
Sr
4.00 · 15.4%
Ga
13.00 · 50.0%
Au
9.00 · 34.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5023
eV/atom
Corrected total energy
-88.7245
eV
Raw total energy
-88.7245
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.4310
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B9C13_2_spg187

Decomposition

Sr4Ga13Au9

Computed at

2024-12-05 04:35:03

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: agm008602993).

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 agm008602993
data_agm008602993
_cell_length_a     12.03118
_cell_length_b     12.03118
_cell_length_c     4.37556
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       548.50554
_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
  Sr1 Sr 0.87118 0.12882 0.50000 1.00000
  Sr2 Sr 0.25764 0.12882 0.50000 1.00000
  Sr3 Sr 0.87118 0.74236 0.50000 1.00000
  Sr4 Sr 0.33333 0.66667 0.00000 1.00000
  Ga1 Ga 0.61301 0.62299 0.00000 1.00000
  Ga2 Ga 0.37701 0.99003 0.00000 1.00000
  Ga3 Ga 0.61301 0.99003 0.00000 1.00000
  Ga4 Ga 0.00997 0.38699 0.00000 1.00000
  Ga5 Ga 0.82698 0.41349 0.50000 1.00000
  Ga6 Ga 0.58651 0.17302 0.50000 1.00000
  Ga7 Ga 0.37701 0.38699 0.00000 1.00000
  Ga8 Ga 0.19998 0.39997 0.50000 1.00000
  Ga9 Ga 0.58651 0.41349 0.50000 1.00000
  Ga10 Ga 0.00997 0.62299 0.00000 1.00000
  Ga11 Ga 0.19998 0.80002 0.50000 1.00000
  Ga12 Ga 0.60003 0.80002 0.50000 1.00000
  Ga13 Ga 0.00000 0.00000 0.00000 1.00000
  Au1 Au 0.12307 0.87693 0.00000 1.00000
  Au2 Au 0.49432 0.24716 0.00000 1.00000
  Au3 Au 0.12307 0.24613 0.00000 1.00000
  Au4 Au 0.75284 0.50568 0.00000 1.00000
  Au5 Au 0.75284 0.24716 0.00000 1.00000
  Au6 Au 0.45721 0.91443 0.50000 1.00000
  Au7 Au 0.75387 0.87693 0.00000 1.00000
  Au8 Au 0.45721 0.54279 0.50000 1.00000
  Au9 Au 0.08557 0.54279 0.50000 1.00000
Get direct link