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Mg8Al2Ga

Alexandria ALEX

Alex-ID: agm003530882 · Space group: Immm (#71)

Basic Information

Formula
Mg8Al2Ga
Alex-ID
agm003530882
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
233.68
ų
Cell a
4.8465
Å
Cell b
6.6211
Å
Cell c
8.3602
Å
α angle
113.36
°
β angle
106.85
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg8Al2Ga
Mg
8.00 · 72.7%
Al
2.00 · 18.2%
Ga
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0446
eV/atom
Formation energy
-0.0096
eV/atom
Corrected total energy
-23.3833
eV
Raw total energy
-23.3833
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.2676
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Mg5Ga2 Mg17Al12 Mg

Computed at

2022-03-15 21:05:00.116812

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: agm003530882).

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 agm003530882
data_agm003530882
_cell_length_a     4.84649
_cell_length_b     6.62108
_cell_length_c     8.36018
_cell_angle_alpha  113.35894
_cell_angle_beta   106.84933
_cell_angle_gamma  90.00000
_cell_volume       233.68434
_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 0.35459 0.58861 0.70918 1.00000
  Mg2 Mg 0.64513 0.87974 0.29026 1.00000
  Mg3 Mg 0.82246 0.82272 0.64492 1.00000
  Mg4 Mg 0.00018 0.26413 0.00037 1.00000
  Mg5 Mg 0.17754 0.17728 0.35508 1.00000
  Mg6 Mg 0.35487 0.12026 0.70974 1.00000
  Mg7 Mg 0.64541 0.41139 0.29082 1.00000
  Mg8 Mg 0.99982 0.73587 0.99963 1.00000
  Al1 Al 0.81790 0.31749 0.63581 1.00000
  Al2 Al 0.18210 0.68251 0.36419 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
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