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Al8Cu4Sb

Alexandria ALEX

Alex-ID: agm097802233 · Space group: Cm (#8)

Basic Information

Formula
Al8Cu4Sb
Alex-ID
agm097802233
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
220.60
ų
Cell a
7.7767
Å
Cell b
7.7767
Å
Cell c
4.0462
Å
α angle
93.63
°
β angle
86.37
°
γ angle
115.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al8Cu4Sb
Al
8.00 · 61.5%
Cu
4.00 · 30.8%
Sb
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1900
eV/atom
Formation energy
0.0296
eV/atom
Corrected total energy
-50.3420
eV
Raw total energy
-50.3420
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1959
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1000_spg8

Decomposition

AlCu Al2Cu AlSb

Computed at

2025-06-02 08:34:25

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: agm097802233).

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 agm097802233
data_agm097802233
_cell_length_a     7.77674
_cell_length_b     7.77674
_cell_length_c     4.04615
_cell_angle_alpha  93.62788
_cell_angle_beta   86.37218
_cell_angle_gamma  115.30651
_cell_volume       220.59763
_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 0.14594 0.39714 0.35046 1.00000
  Al2 Al 0.22265 0.77735 0.47145 1.00000
  Al3 Al 0.61851 0.38149 0.81737 1.00000
  Al4 Al 0.60286 0.85406 0.35046 1.00000
  Al5 Al 0.37343 0.15395 0.35036 1.00000
  Al6 Al 0.38539 0.61461 0.86488 1.00000
  Al7 Al 0.76850 0.23150 0.24671 1.00000
  Al8 Al 0.84605 0.62657 0.35036 1.00000
  Cu1 Cu 0.10970 0.89030 0.02370 1.00000
  Cu2 Cu 0.00519 0.51891 0.86763 1.00000
  Cu3 Cu 0.48109 0.99481 0.86763 1.00000
  Cu4 Cu 0.49901 0.50099 0.33898 1.00000
  Sb1 Sb 0.97007 0.02993 0.58614 1.00000
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