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La4In3

Alexandria ALEX

Alex-ID: agm007843372 · Space group: Immm (#71)

Basic Information

Formula
La4In3
Alex-ID
agm007843372
Elements
2
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
216.14
ų
Cell a
12.9602
Å
Cell b
12.9602
Å
Cell c
4.6562
Å
α angle
79.89
°
β angle
100.11
°
γ angle
163.69
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4In3
La
4.00 · 57.1%
In
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0351
eV/atom
Formation energy
-0.4119
eV/atom
Corrected total energy
-30.9020
eV
Raw total energy
-30.9020
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.0064
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_16_spg71

Decomposition

LaIn La5In3

Computed at

2025-06-12 09:29:41

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: agm007843372).

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 agm007843372
data_agm007843372
_cell_length_a     12.96022
_cell_length_b     12.96022
_cell_length_c     4.65623
_cell_angle_alpha  79.88528
_cell_angle_beta   100.11472
_cell_angle_gamma  163.69117
_cell_volume       216.13986
_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 0.20835 0.79165 0.20398 1.00000
  La2 La 0.79165 0.20835 0.79602 1.00000
  La3 La 0.92863 0.07137 0.92975 1.00000
  La4 La 0.07137 0.92863 0.07025 1.00000
  In1 In 0.35557 0.64443 0.35856 1.00000
  In2 In 0.50000 0.50000 0.50000 1.00000
  In3 In 0.64443 0.35557 0.64144 1.00000
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