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La8CdIn4

Alexandria ALEX

Alex-ID: agm097945757 · Space group: Pm (#6)

Basic Information

Formula
La8CdIn4
Alex-ID
agm097945757
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
436.04
ų
Cell a
4.8761
Å
Cell b
10.6266
Å
Cell c
9.7921
Å
α angle
120.75
°
β angle
90.00
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8CdIn4
La
8.00 · 61.5%
Cd
1.00 · 7.7%
In
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1074
eV/atom
Formation energy
-0.2769
eV/atom
Corrected total energy
-55.0217
eV
Raw total energy
-55.0217
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0288
eV
DOS at Fermi level
15.5853
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1160_spg6

Decomposition

La5In3 La2CdIn La3In

Computed at

2025-06-12 13:53:46

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: agm097945757).

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 agm097945757
data_agm097945757
_cell_length_a     4.87611
_cell_length_b     10.62661
_cell_length_c     9.79208
_cell_angle_alpha  120.75248
_cell_angle_beta   90.00019
_cell_angle_gamma  89.99441
_cell_volume       436.04437
_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
  La1 La 0.69227 0.21835 0.37814 1.00000
  La2 La 0.69228 0.12017 0.70290 1.00000
  La3 La 0.69225 0.69282 0.40841 1.00000
  La4 La 0.69224 0.68838 0.81933 1.00000
  La5 La 0.19231 0.31920 0.11732 1.00000
  La6 La 0.19235 0.36495 0.71318 1.00000
  La7 La 0.19223 0.68358 0.11860 1.00000
  La8 La 0.19236 0.88276 0.70416 1.00000
  Cd1 Cd 0.69234 0.05980 0.99345 1.00000
  In1 In 0.19239 0.98138 0.10554 1.00000
  In2 In 0.19232 0.00282 0.43608 1.00000
  In3 In 0.69231 0.45914 0.99343 1.00000
  In4 In 0.19234 0.52664 0.50944 1.00000
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