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Al2Ga2Ag7

Alexandria ALEX

Alex-ID: agm005571017 · Space group: Imm2 (#44)

Basic Information

Formula
Al2Ga2Ag7
Alex-ID
agm005571017
Elements
3
Sites
11
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
193.13
ų
Cell a
4.4280
Å
Cell b
7.5743
Å
Cell c
7.5744
Å
α angle
53.57
°
β angle
73.00
°
γ angle
73.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al2Ga2Ag7
Al
2.00 · 18.2%
Ga
2.00 · 18.2%
Ag
7.00 · 63.6%

Energy & Stability

Energy above hull
0.0544
eV/atom
Formation energy
-0.0096
eV/atom
Corrected total energy
-33.6144
eV
Raw total energy
-33.6144
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8475
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_228_spg44

Decomposition

AlAg2 AlAg4 Ga4Ag3

Computed at

2023-06-03 22:41:49.071878

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: agm005571017).

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 agm005571017
data_agm005571017
_cell_length_a     4.42796
_cell_length_b     7.57431
_cell_length_c     7.57437
_cell_angle_alpha  53.57185
_cell_angle_beta   73.00353
_cell_angle_gamma  73.00506
_cell_volume       193.12945
_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 1.00000 0.63607 0.36393 1.00000
  Al2 Al 0.50000 0.33684 0.66316 1.00000
  Ga1 Ga 0.69199 0.92628 0.68974 1.00000
  Ga2 Ga 0.30802 0.31026 0.07372 1.00000
  Ag1 Ag 0.84921 0.05259 0.24899 1.00000
  Ag2 Ag 0.86334 0.47140 0.80191 1.00000
  Ag3 Ag 0.50000 0.93131 0.06869 1.00000
  Ag4 Ag 0.65603 0.46399 0.22395 1.00000
  Ag5 Ag 0.34396 0.77605 0.53601 1.00000
  Ag6 Ag 0.15079 0.75101 0.94741 1.00000
  Ag7 Ag 0.13666 0.19809 0.52860 1.00000
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