Navigation

HEAS Data Platform · Materials Science Database

LaIn4

Alexandria ALEX

Alex-ID: agm005545348 · Space group: Imma (#74)

Basic Information

Formula
LaIn4
Alex-ID
agm005545348
Elements
2
Sites
10
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
271.19
ų
Cell a
4.8951
Å
Cell b
7.0304
Å
Cell c
8.9692
Å
α angle
113.07
°
β angle
105.84
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaIn4
La
2.00 · 20.0%
In
8.00 · 80.0%

Energy & Stability

Energy above hull
0.0315
eV/atom
Formation energy
-0.3404
eV/atom
Corrected total energy
-35.4163
eV
Raw total energy
-35.4163
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8924
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_659_spg74

Decomposition

LaIn3 In

Computed at

2023-05-29 00:29:39.496537

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: agm005545348).

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 agm005545348
data_agm005545348
_cell_length_a     4.89505
_cell_length_b     7.03043
_cell_length_c     8.96917
_cell_angle_alpha  113.07414
_cell_angle_beta   105.83585
_cell_angle_gamma  90.00000
_cell_volume       271.19461
_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 0.88899 0.13899 0.77798 1.00000
  La2 La 0.11101 0.86101 0.22202 1.00000
  In1 In 0.10344 0.35344 0.20687 1.00000
  In2 In 0.89656 0.64656 0.79313 1.00000
  In3 In 0.50000 0.00000 0.00000 1.00000
  In4 In 0.50000 0.50000 0.00000 1.00000
  In5 In 0.69677 0.22159 0.39354 1.00000
  In6 In 0.30323 0.77841 0.60646 1.00000
  In7 In 0.30323 0.32805 0.60646 1.00000
  In8 In 0.69677 0.67195 0.39354 1.00000
Get direct link