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Al2GePb3

Alexandria ALEX

Alex-ID: agm071900534 · Space group: P1 (#1)

Basic Information

Formula
Al2GePb3
Alex-ID
agm071900534
Elements
3
Sites
6
Space group
P1 (#1)
Crystal system
triclinic
Volume
154.24
ų
Cell a
3.5665
Å
Cell b
7.0420
Å
Cell c
6.4819
Å
α angle
78.83
°
β angle
75.22
°
γ angle
89.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al2GePb3
Al
2.00 · 33.3%
Ge
1.00 · 16.7%
Pb
3.00 · 50.0%

Energy & Stability

Energy above hull
0.1769
eV/atom
Formation energy
0.1769
eV/atom
Corrected total energy
-22.1718
eV
Raw total energy
-22.1718
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0673
eV
DOS at Fermi level
2.5930
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_2017_spg8

Decomposition

Al Ge Pb

Computed at

2025-04-13 19:03:29

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: agm071900534).

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 agm071900534
data_agm071900534
_cell_length_a     3.56649
_cell_length_b     7.04202
_cell_length_c     6.48193
_cell_angle_alpha  78.83192
_cell_angle_beta   75.21612
_cell_angle_gamma  89.83620
_cell_volume       154.23912
_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 0.83776 0.29862 0.98843 1.00000
  Al2 Al 0.47985 0.17585 0.68609 1.00000
  Ge1 Ge 0.86167 0.93867 0.93436 1.00000
  Pb1 Pb 0.46671 0.62795 0.73507 1.00000
  Pb2 Pb 0.18958 0.47199 0.30834 1.00000
  Pb3 Pb 0.16444 0.98692 0.34771 1.00000
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