Li8Cd3Bi4

Alexandria ALEX

Alex-ID: agm005703606 · Space group: Pm-3m (#221)

Alexandria Database API

Basic Information

Formula

Li8Cd3Bi4

Alex-ID

agm005703606

Elements

Sites

Space group

Pm-3m (#221)

Crystal system

cubic

Volume

645.80

Å³

Cell a

9.7022

Cell b

9.7022

Cell c

9.7022

α angle

60.00

β angle

60.00

γ angle

60.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Li8Cd3Bi4

16.00 · 53.3%

6.00 · 20.0%

8.00 · 26.7%

Energy & Stability

Energy above hull

0.0061

eV/atom

Formation energy

-0.3812

eV/atom

Corrected total energy

-78.6459

Raw total energy

-78.6459

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

3.7739

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A3B4C8_74_spg221

Decomposition

Li2Bi LiCd3 LiBi

Computed at

2023-06-29 18:15:29.529643

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: agm005703606).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005703606
data_agm005703606
_cell_length_a     9.70221
_cell_length_b     9.70221
_cell_length_c     9.70221
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       645.79933
_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 0.60215 0.13262 0.13262 1.00000
  Li2 Li 0.39785 0.86738 0.86738 1.00000
  Li3 Li 0.13262 0.13262 0.60215 1.00000
  Li4 Li 0.13262 0.13262 0.13262 1.00000
  Li5 Li 0.86738 0.86738 0.39785 1.00000
  Li6 Li 0.86738 0.86738 0.86738 1.00000
  Li7 Li 0.13262 0.60215 0.13262 1.00000
  Li8 Li 0.86738 0.39785 0.86738 1.00000
  Li9 Li 0.89857 0.36714 0.36714 1.00000
  Li10 Li 0.10143 0.63286 0.63286 1.00000
  Li11 Li 0.36714 0.36714 0.89857 1.00000
  Li12 Li 0.36714 0.36714 0.36714 1.00000
  Li13 Li 0.63286 0.63286 0.10143 1.00000
  Li14 Li 0.63286 0.63286 0.63286 1.00000
  Li15 Li 0.36714 0.89857 0.36714 1.00000
  Li16 Li 0.63286 0.10143 0.63286 1.00000
  Cd1 Cd 0.74983 0.74983 0.25017 1.00000
  Cd2 Cd 0.25017 0.25017 0.74983 1.00000
  Cd3 Cd 0.74983 0.25017 0.25017 1.00000
  Cd4 Cd 0.25017 0.74983 0.74983 1.00000
  Cd5 Cd 0.74983 0.25017 0.74983 1.00000
  Cd6 Cd 0.25017 0.74983 0.25017 1.00000
  Bi1 Bi 0.00000 0.00000 0.00000 1.00000
  Bi2 Bi 0.50000 0.50000 0.00000 1.00000
  Bi3 Bi 0.00000 0.00000 0.50000 1.00000
  Bi4 Bi 0.50000 0.00000 0.00000 1.00000
  Bi5 Bi 0.00000 0.50000 0.50000 1.00000
  Bi6 Bi 0.50000 0.00000 0.50000 1.00000
  Bi7 Bi 0.00000 0.50000 0.00000 1.00000
  Bi8 Bi 0.50000 0.50000 0.50000 1.00000

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