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Li8Cd3Sn4

Alexandria ALEX

Alex-ID: agm005703522 · Space group: Pm-3m (#221)

Alexandria Database API

Basic Information

Formula
Li8Cd3Sn4
Alex-ID
agm005703522
Elements
3
Sites
30
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
591.58
ų
Cell a
9.4227
Å
Cell b
9.4228
Å
Cell c
9.4226
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Li8Cd3Sn4
Li
16.00 · 53.3%
Cd
6.00 · 20.0%
Sn
8.00 · 26.7%

Energy & Stability

Energy above hull
0.0359
eV/atom
Formation energy
-0.3029
eV/atom
Corrected total energy
-77.2711
eV
Raw total energy
-77.2711
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
10.5002
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C8_74_spg221

Decomposition

Li2Sn Li2CdSn

Computed at

2023-06-29 18:23:33.500933

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: agm005703522).

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 agm005703522
data_agm005703522
_cell_length_a     9.42272
_cell_length_b     9.42279
_cell_length_c     9.42260
_cell_angle_alpha  60.00014
_cell_angle_beta   60.00091
_cell_angle_gamma  59.99896
_cell_volume       591.57745
_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
  Li1 Li 0.59637 0.13455 0.13454 1.00000
  Li2 Li 0.40363 0.86545 0.86546 1.00000
  Li3 Li 0.13454 0.13454 0.59637 1.00000
  Li4 Li 0.13454 0.13454 0.13455 1.00000
  Li5 Li 0.86546 0.86546 0.40363 1.00000
  Li6 Li 0.86546 0.86546 0.86545 1.00000
  Li7 Li 0.13455 0.59637 0.13454 1.00000
  Li8 Li 0.86545 0.40363 0.86546 1.00000
  Li9 Li 0.90294 0.36573 0.36566 1.00000
  Li10 Li 0.09706 0.63427 0.63434 1.00000
  Li11 Li 0.36566 0.36567 0.90294 1.00000
  Li12 Li 0.36567 0.36566 0.36573 1.00000
  Li13 Li 0.63434 0.63433 0.09706 1.00000
  Li14 Li 0.63433 0.63434 0.63427 1.00000
  Li15 Li 0.36573 0.90294 0.36567 1.00000
  Li16 Li 0.63427 0.09706 0.63433 1.00000
  Cd1 Cd 0.75015 0.75015 0.24985 1.00000
  Cd2 Cd 0.24985 0.24985 0.75015 1.00000
  Cd3 Cd 0.75008 0.24992 0.24992 1.00000
  Cd4 Cd 0.24992 0.75008 0.75008 1.00000
  Cd5 Cd 0.75008 0.24992 0.75008 1.00000
  Cd6 Cd 0.24992 0.75008 0.24992 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
  Sn2 Sn 0.50000 0.50000 0.00000 1.00000
  Sn3 Sn 0.00000 0.00000 0.50000 1.00000
  Sn4 Sn 0.50000 0.00000 0.00000 1.00000
  Sn5 Sn 0.00000 0.50000 0.50000 1.00000
  Sn6 Sn 0.50000 0.00000 0.50000 1.00000
  Sn7 Sn 0.00000 0.50000 0.00000 1.00000
  Sn8 Sn 0.50000 0.50000 0.50000 1.00000
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