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La2In3Rh

Alexandria ALEX

Alex-ID: agm016318862 · Space group: Cm (#8)

Basic Information

Formula
La2In3Rh
Alex-ID
agm016318862
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
158.26
ų
Cell a
5.9721
Å
Cell b
5.9721
Å
Cell c
7.6242
Å
α angle
54.74
°
β angle
125.26
°
γ angle
131.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2In3Rh
La
2.00 · 33.3%
In
3.00 · 50.0%
Rh
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0589
eV/atom
Formation energy
-0.5621
eV/atom
Corrected total energy
-28.8881
eV
Raw total energy
-28.8881
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0223
eV
DOS at Fermi level
3.7488
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1900_spg8

Decomposition

LaInRh LaIn2Rh La3In5

Computed at

2025-04-14 06:33:23

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: agm016318862).

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 agm016318862
data_agm016318862
_cell_length_a     5.97212
_cell_length_b     5.97212
_cell_length_c     7.62425
_cell_angle_alpha  54.74471
_cell_angle_beta   125.25529
_cell_angle_gamma  131.19575
_cell_volume       158.26272
_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 0.55189 0.44811 0.30670 1.00000
  La2 La 0.42361 0.57639 0.68897 1.00000
  In1 In 0.86298 0.13702 0.33404 1.00000
  In2 In 0.81655 0.18345 0.89357 1.00000
  In3 In 0.16717 0.83283 0.07290 1.00000
  Rh1 Rh 0.18271 0.81729 0.70381 1.00000
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