Navigation

HEAS Data Platform · Materials Science Database

MgAlGaGe

Alexandria ALEX

Alex-ID: agm002097232 · Space group: Cm (#8)

Alexandria Database API

Basic Information

Formula
MgAlGaGe
Alex-ID
agm002097232
Elements
4
Sites
8
Space group
Cm (#8)
Crystal system
monoclinic
Volume
163.74
ų
Cell a
5.7216
Å
Cell b
4.3950
Å
Cell c
7.0504
Å
α angle
90.00
°
β angle
112.54
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
MgAlGaGe
Mg
2.00 · 25.0%
Al
2.00 · 25.0%
Ga
2.00 · 25.0%
Ge
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1132
eV/atom
Formation energy
0.0040
eV/atom
Corrected total energy
-25.9418
eV
Raw total energy
-25.9418
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
2.6308
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_750_spg8

Decomposition

Mg2Ga5 Al19Ga Mg2Ge Ge

Computed at

2021-11-11 02:13:49.915937

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: agm002097232).

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 agm002097232
data_agm002097232
_cell_length_a     5.72155
_cell_length_b     4.39501
_cell_length_c     7.05037
_cell_angle_alpha  90.00000
_cell_angle_beta   112.54435
_cell_angle_gamma  90.00000
_cell_volume       163.74249
_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 0.05151 0.00000 0.20062 1.00000
  Mg2 Mg 0.05151 0.50000 0.70062 1.00000
  Al1 Al 0.60899 0.00000 0.37294 1.00000
  Al2 Al 0.60899 0.50000 0.87294 1.00000
  Ga1 Ga 0.35531 0.00000 0.94708 1.00000
  Ga2 Ga 0.35531 0.50000 0.44708 1.00000
  Ge1 Ge 0.80651 0.00000 0.77696 1.00000
  Ge2 Ge 0.80651 0.50000 0.27696 1.00000
Get direct link