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Al4Ga2Ag3

Alexandria ALEX

Alex-ID: agm005672233 · Space group: P-1 (#2)

Basic Information

Formula
Al4Ga2Ag3
Alex-ID
agm005672233
Elements
3
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
155.41
ų
Cell a
4.8672
Å
Cell b
5.2046
Å
Cell c
8.2584
Å
α angle
106.45
°
β angle
122.15
°
γ angle
100.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al4Ga2Ag3
Al
4.00 · 44.4%
Ga
2.00 · 22.2%
Ag
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0622
eV/atom
Formation energy
0.0112
eV/atom
Corrected total energy
-29.4934
eV
Raw total energy
-29.4934
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0843
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_698_spg2

Decomposition

Al2Ag Al19Ga Ga4Ag3

Computed at

2023-06-26 17:20:55.621564

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: agm005672233).

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 agm005672233
data_agm005672233
_cell_length_a     4.86721
_cell_length_b     5.20457
_cell_length_c     8.25838
_cell_angle_alpha  106.44994
_cell_angle_beta   122.15428
_cell_angle_gamma  100.19410
_cell_volume       155.41449
_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
  Al1 Al 0.65472 0.32846 0.10897 1.00000
  Al2 Al 0.99610 0.99386 0.66662 1.00000
  Al3 Al 0.00390 0.00614 0.33338 1.00000
  Al4 Al 0.34528 0.67154 0.89103 1.00000
  Ga1 Ga 0.33855 0.67039 0.21884 1.00000
  Ga2 Ga 0.66145 0.32961 0.78116 1.00000
  Ag1 Ag 0.31687 0.67182 0.54337 1.00000
  Ag2 Ag 0.00000 0.00000 0.00000 1.00000
  Ag3 Ag 0.68313 0.32818 0.45663 1.00000
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