Navigation

HEAS Data Platform · Materials Science Database

Mg3Al2Ag7

Alexandria ALEX

Alex-ID: agm005605019 · Space group: I4/mmm (#139)

Basic Information

Formula
Mg3Al2Ag7
Alex-ID
agm005605019
Elements
3
Sites
12
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
210.50
ų
Cell a
4.6292
Å
Cell b
4.6289
Å
Cell c
10.3495
Å
α angle
102.79
°
β angle
77.19
°
γ angle
89.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg3Al2Ag7
Mg
3.00 · 25.0%
Al
2.00 · 16.7%
Ag
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.1701
eV/atom
Corrected total energy
-34.2754
eV
Raw total energy
-34.2754
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0507
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_231_spg139

Decomposition

Mg3Al2Ag7

Computed at

2023-06-14 11:52:56.926104

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: agm005605019).

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 agm005605019
data_agm005605019
_cell_length_a     4.62922
_cell_length_b     4.62887
_cell_length_c     10.34952
_cell_angle_alpha  102.79161
_cell_angle_beta   77.19262
_cell_angle_gamma  89.49773
_cell_volume       210.49506
_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
  Mg1 Mg 0.50000 0.50000 0.00000 1.00000
  Mg2 Mg 0.83357 0.16647 0.33297 1.00000
  Mg3 Mg 0.16643 0.83353 0.66703 1.00000
  Al1 Al 0.33280 0.66723 0.33391 1.00000
  Al2 Al 0.66720 0.33277 0.66609 1.00000
  Ag1 Ag 0.24993 0.24996 0.49999 1.00000
  Ag2 Ag 0.75007 0.75004 0.50001 1.00000
  Ag3 Ag 0.91181 0.58750 0.17531 1.00000
  Ag4 Ag 0.00000 0.00000 0.00000 1.00000
  Ag5 Ag 0.08819 0.41250 0.82469 1.00000
  Ag6 Ag 0.58750 0.91177 0.82460 1.00000
  Ag7 Ag 0.41250 0.08823 0.17540 1.00000
Get direct link