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Al3Ag4

Alexandria ALEX

Alex-ID: agm090297002 · Space group: C2/m (#12)

Basic Information

Formula
Al3Ag4
Alex-ID
agm090297002
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
119.89
ų
Cell a
5.3486
Å
Cell b
5.3486
Å
Cell c
6.4811
Å
α angle
77.80
°
β angle
102.20
°
γ angle
138.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al3Ag4
Al
3.00 · 42.9%
Ag
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0203
eV/atom
Formation energy
-0.0446
eV/atom
Corrected total energy
-22.9540
eV
Raw total energy
-22.9540
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.4088
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_22_spg8

Decomposition

AlAg AlAg2

Computed at

2025-06-07 09:58:29

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: agm090297002).

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 agm090297002
data_agm090297002
_cell_length_a     5.34865
_cell_length_b     5.34865
_cell_length_c     6.48113
_cell_angle_alpha  77.79913
_cell_angle_beta   102.20087
_cell_angle_gamma  138.40956
_cell_volume       119.89071
_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 0.21644 0.78356 0.15238 1.00000
  Al2 Al 0.78356 0.21644 0.84762 1.00000
  Al3 Al 0.50000 0.50000 0.00000 1.00000
  Ag1 Ag 0.64118 0.35882 0.41592 1.00000
  Ag2 Ag 0.35882 0.64118 0.58408 1.00000
  Ag3 Ag 0.08147 0.91853 0.73367 1.00000
  Ag4 Ag 0.91853 0.08147 0.26633 1.00000
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