Navigation

HEAS Data Platform · Materials Science Database

Al2Zn3Ag8

Alexandria ALEX

Alex-ID: agm005641948 · Space group: P2/m (#10)

Basic Information

Formula
Al2Zn3Ag8
Alex-ID
agm005641948
Elements
3
Sites
13
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
240.29
ų
Cell a
4.4472
Å
Cell b
8.7587
Å
Cell c
7.6331
Å
α angle
126.08
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al2Zn3Ag8
Al
2.00 · 15.4%
Zn
3.00 · 23.1%
Ag
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1246
eV/atom
Formation energy
0.0667
eV/atom
Corrected total energy
-33.2689
eV
Raw total energy
-33.2689
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0294
eV
DOS at Fermi level
3.5481
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_146_spg65

Decomposition

AlAg2 AlAg4 Zn7Ag6

Computed at

2023-06-15 13:03:24.031142

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: agm005641948).

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 agm005641948
data_agm005641948
_cell_length_a     4.44724
_cell_length_b     8.75869
_cell_length_c     7.63309
_cell_angle_alpha  126.08162
_cell_angle_beta   89.99978
_cell_angle_gamma  90.00002
_cell_volume       240.29093
_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 0.50000 0.24407 0.49445 1.00000
  Al2 Al 0.50001 0.75593 0.50555 1.00000
  Zn1 Zn 0.50000 0.00000 0.00000 1.00000
  Zn2 Zn 0.00000 0.24540 0.99776 1.00000
  Zn3 Zn 1.00000 0.75460 0.00224 1.00000
  Ag1 Ag 0.00000 0.62597 0.24952 1.00000
  Ag2 Ag 1.00000 0.37403 0.75048 1.00000
  Ag3 Ag 1.00000 0.14037 0.26927 1.00000
  Ag4 Ag 0.00000 0.85963 0.73073 1.00000
  Ag5 Ag 0.50000 0.61383 0.74409 1.00000
  Ag6 Ag 0.50000 0.13601 0.74912 1.00000
  Ag7 Ag 0.50000 0.86399 0.25088 1.00000
  Ag8 Ag 0.50000 0.38617 0.25591 1.00000
Get direct link