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Al7Ge4Bi3

Alexandria ALEX

Alex-ID: agm009925152 · Space group: P-1 (#2)

Basic Information

Formula
Al7Ge4Bi3
Alex-ID
agm009925152
Elements
3
Sites
14
Space group
P-1 (#2)
Crystal system
triclinic
Volume
320.67
ų
Cell a
3.9924
Å
Cell b
7.9712
Å
Cell c
11.3092
Å
α angle
68.21
°
β angle
78.88
°
γ angle
74.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al7Ge4Bi3
Al
7.00 · 50.0%
Ge
4.00 · 28.6%
Bi
3.00 · 21.4%

Energy & Stability

Energy above hull
0.1702
eV/atom
Formation energy
0.1702
eV/atom
Corrected total energy
-53.9483
eV
Raw total energy
-53.9483
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0235
eV
DOS at Fermi level
5.1346
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C7_153_spg2

Decomposition

Al Ge Bi

Computed at

2024-03-22 07:28:44.077057

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: agm009925152).

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 agm009925152
data_agm009925152
_cell_length_a     3.99236
_cell_length_b     7.97123
_cell_length_c     11.30922
_cell_angle_alpha  68.21446
_cell_angle_beta   78.88468
_cell_angle_gamma  74.79612
_cell_volume       320.66832
_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 0.81651 0.51939 0.84557 1.00000
  Al2 Al 0.34951 0.10321 0.21801 1.00000
  Al3 Al 0.78589 0.04261 0.39871 1.00000
  Al4 Al 0.18349 0.48061 0.15443 1.00000
  Al5 Al 0.21411 0.95739 0.60129 1.00000
  Al6 Al 0.00000 0.00000 0.00000 1.00000
  Al7 Al 0.65049 0.89679 0.78199 1.00000
  Ge1 Ge 0.83517 0.72893 0.59033 1.00000
  Ge2 Ge 0.16483 0.27107 0.40967 1.00000
  Ge3 Ge 0.17427 0.71198 0.91979 1.00000
  Ge4 Ge 0.82573 0.28802 0.08021 1.00000
  Bi1 Bi 0.52019 0.74287 0.19960 1.00000
  Bi2 Bi 0.47981 0.25713 0.80040 1.00000
  Bi3 Bi 0.50000 0.50000 0.50000 1.00000
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