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Al(In2Ge)2

Alexandria ALEX

Alex-ID: agm096636076 · Space group: Pm (#6)

Basic Information

Formula
Al(In2Ge)2
Alex-ID
agm096636076
Elements
3
Sites
7
Space group
Pm (#6)
Crystal system
monoclinic
Volume
176.56
ų
Cell a
4.2743
Å
Cell b
5.3056
Å
Cell c
7.7961
Å
α angle
87.00
°
β angle
90.00
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al(In2Ge)2
Al
1.00 · 14.3%
In
4.00 · 57.1%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1604
eV/atom
Formation energy
0.1604
eV/atom
Corrected total energy
-22.9359
eV
Raw total energy
-22.9359
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3727
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_3892_spg2

Decomposition

Al In Ge

Computed at

2025-04-10 14:27:13

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: agm096636076).

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 agm096636076
data_agm096636076
_cell_length_a     4.27430
_cell_length_b     5.30565
_cell_length_c     7.79613
_cell_angle_alpha  87.00211
_cell_angle_beta   90.00452
_cell_angle_gamma  89.99213
_cell_volume       176.55835
_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 0.00069 0.52113 0.98614 1.00000
  In1 In 0.50058 0.25505 0.81428 1.00000
  In2 In 0.99932 0.27907 0.33957 1.00000
  In3 In 0.99915 0.68672 0.62248 1.00000
  In4 In 0.50061 0.72763 0.21298 1.00000
  Ge1 Ge 0.00056 0.01328 0.01428 1.00000
  Ge2 Ge 0.49909 0.01711 0.51028 1.00000
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