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La2In3Ag

Alexandria ALEX

Alex-ID: agm015484373 · Space group: Cm (#8)

Basic Information

Formula
La2In3Ag
Alex-ID
agm015484373
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
165.73
ų
Cell a
6.3209
Å
Cell b
6.3209
Å
Cell c
7.8648
Å
α angle
50.90
°
β angle
129.10
°
γ angle
133.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2In3Ag
La
2.00 · 33.3%
In
3.00 · 50.0%
Ag
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0055
eV/atom
Formation energy
-0.4743
eV/atom
Corrected total energy
-23.8608
eV
Raw total energy
-23.8608
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0575
eV
DOS at Fermi level
3.8466
Total magnetisation
0.1525
μB

Additional Information

Prototype ID

AB2C3_1923_spg8

Decomposition

La3(In2Ag)2 La3In5 LaIn3

Computed at

2025-04-15 03:57:34

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: agm015484373).

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 agm015484373
data_agm015484373
_cell_length_a     6.32095
_cell_length_b     6.32095
_cell_length_c     7.86481
_cell_angle_alpha  50.90172
_cell_angle_beta   129.09828
_cell_angle_gamma  133.51547
_cell_volume       165.72857
_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 0.53222 0.46778 0.78011 1.00000
  La2 La 0.46736 0.53264 0.21922 1.00000
  In1 In 0.84746 0.15254 0.38397 1.00000
  In2 In 0.83144 0.16856 0.78252 1.00000
  In3 In 0.16356 0.83644 0.21703 1.00000
  Ag1 Ag 0.17171 0.82829 0.61715 1.00000
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