Navigation

HEAS Data Platform · Materials Science Database

AlCdSn

Alexandria ALEX

Alex-ID: agm002124752 · Space group: P1 (#1)

Basic Information

Formula
AlCdSn
Alex-ID
agm002124752
Elements
3
Sites
3
Space group
P1 (#1)
Crystal system
triclinic
Volume
69.32
ų
Cell a
3.1171
Å
Cell b
4.2749
Å
Cell c
5.9412
Å
α angle
109.61
°
β angle
110.30
°
γ angle
90.06
°

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
0.1764
eV/atom
Formation energy
0.1764
eV/atom
Corrected total energy
-8.1428
eV
Raw total energy
-8.1428
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.3937
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_9_spg44

Decomposition

Al Cd Sn

Computed at

2021-09-23 16:19:13

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: agm002124752).

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 agm002124752
data_agm002124752
_cell_length_a     3.11708
_cell_length_b     4.27489
_cell_length_c     5.94122
_cell_angle_alpha  109.61221
_cell_angle_beta   110.29929
_cell_angle_gamma  90.06010
_cell_volume       69.32196
_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 0.61039 0.41149 0.00251 1.00000
  Sn1 Sn 0.95138 0.74508 0.66957 1.00000
  Cd1 Cd 0.27214 0.06030 0.29575 1.00000
Get direct link