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Al5Ag3Os

Alexandria ALEX

Alex-ID: agm072809739 · Space group: Cm (#8)

Basic Information

Formula
Al5Ag3Os
Alex-ID
agm072809739
Elements
3
Sites
9
Space group
Cm (#8)
Crystal system
monoclinic
Volume
149.33
ų
Cell a
7.2823
Å
Cell b
7.2823
Å
Cell c
5.1583
Å
α angle
78.29
°
β angle
78.29
°
γ angle
33.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al5Ag3Os
Al
5.00 · 55.6%
Ag
3.00 · 33.3%
Os
1.00 · 11.1%

Energy & Stability

Energy above hull
0.1602
eV/atom
Formation energy
-0.0862
eV/atom
Corrected total energy
-39.2866
eV
Raw total energy
-39.2866
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.2176
eV
DOS at Fermi level
2.5233
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C5_1096_spg8

Decomposition

Al13Os4 Al15Os4 AlAg2

Computed at

2024-09-23 12:16:36.035041

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: agm072809739).

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 agm072809739
data_agm072809739
_cell_length_a     7.28231
_cell_length_b     7.28231
_cell_length_c     5.15834
_cell_angle_alpha  78.28770
_cell_angle_beta   78.28770
_cell_angle_gamma  33.95932
_cell_volume       149.32846
_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 0.45601 0.45601 0.56929 1.00000
  Al2 Al 0.40554 0.40554 0.08791 1.00000
  Al3 Al 0.60279 0.60279 0.90510 1.00000
  Al4 Al 0.05550 0.05550 0.26312 1.00000
  Al5 Al 0.80350 0.80350 0.92832 1.00000
  Ag1 Ag 0.65916 0.65916 0.37268 1.00000
  Ag2 Ag 0.85738 0.85738 0.40738 1.00000
  Ag3 Ag 0.22446 0.22446 0.69817 1.00000
  Os1 Os 0.99745 0.99745 0.80587 1.00000
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