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Al8Cu4Pb

Alexandria ALEX

Alex-ID: agm097707422 · Space group: Pm (#6)

Basic Information

Formula
Al8Cu4Pb
Alex-ID
agm097707422
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
217.83
ų
Cell a
3.9753
Å
Cell b
7.3915
Å
Cell c
7.9439
Å
α angle
111.06
°
β angle
90.01
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al8Cu4Pb
Al
8.00 · 61.5%
Cu
4.00 · 30.8%
Pb
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1575
eV/atom
Formation energy
0.0145
eV/atom
Corrected total energy
-50.1236
eV
Raw total energy
-50.1236
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0143
eV
DOS at Fermi level
4.5727
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1245_spg38

Decomposition

Al2Cu Pb

Computed at

2025-06-02 08:52:11

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: agm097707422).

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 agm097707422
data_agm097707422
_cell_length_a     3.97532
_cell_length_b     7.39153
_cell_length_c     7.94395
_cell_angle_alpha  111.05811
_cell_angle_beta   90.01008
_cell_angle_gamma  90.00993
_cell_volume       217.83370
_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 0.73065 0.25851 0.38655 1.00000
  Al2 Al 0.73080 0.17754 0.70431 1.00000
  Al3 Al 0.23073 0.51850 0.31469 1.00000
  Al4 Al 0.73074 0.60355 0.89599 1.00000
  Al5 Al 0.73072 0.29161 0.06281 1.00000
  Al6 Al 0.23075 0.44095 0.64654 1.00000
  Al7 Al 0.73069 0.83296 0.37286 1.00000
  Al8 Al 0.23087 0.85848 0.64427 1.00000
  Cu1 Cu 0.73104 0.93523 0.85209 1.00000
  Cu2 Cu 0.23056 0.08429 0.47347 1.00000
  Cu3 Cu 0.23072 0.46061 0.98248 1.00000
  Cu4 Cu 0.73076 0.62154 0.56677 1.00000
  Pb1 Pb 0.23099 0.91624 0.09716 1.00000
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