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AlCdSn

Alexandria ALEX

Alex-ID: agm002124641 · Space group: C2 (#5)

Basic Information

Formula
AlCdSn
Alex-ID
agm002124641
Elements
3
Sites
3
Space group
C2 (#5)
Crystal system
monoclinic
Volume
70.45
ų
Cell a
3.0314
Å
Cell b
3.7122
Å
Cell c
6.5364
Å
α angle
73.62
°
β angle
88.95
°
γ angle
86.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AlCdSn
Al
1.00 · 33.3%
Sn
1.00 · 33.3%
Cd
1.00 · 33.3%

Energy & Stability

Energy above hull
0.1425
eV/atom
Formation energy
0.1425
eV/atom
Corrected total energy
-8.2443
eV
Raw total energy
-8.2443
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.2491
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_2404_spg38

Decomposition

Al Cd Sn

Computed at

2023-03-24 04:29:40.983963

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: agm002124641).

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 agm002124641
data_agm002124641
_cell_length_a     3.03143
_cell_length_b     3.71215
_cell_length_c     6.53639
_cell_angle_alpha  73.61881
_cell_angle_beta   88.94675
_cell_angle_gamma  86.63901
_cell_volume       70.44741
_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 0.62289 0.41492 0.99493 1.00000
  Sn1 Sn 0.12251 0.06654 0.68690 1.00000
  Cd1 Cd 0.12068 0.76758 0.28600 1.00000
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