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LaIn3Ag

Alexandria ALEX

Alex-ID: agm005807568 · Space group: I4mm (#107)

Basic Information

Formula
LaIn3Ag
Alex-ID
agm005807568
Elements
3
Sites
5
Space group
I4mm (#107)
Crystal system
tetragonal
Volume
130.56
ų
Cell a
4.6160
Å
Cell b
4.6149
Å
Cell c
6.9424
Å
α angle
70.61
°
β angle
70.60
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaIn3Ag
La
1.00 · 20.0%
In
3.00 · 60.0%
Ag
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0425
eV/atom
Formation energy
-0.3296
eV/atom
Corrected total energy
-17.7357
eV
Raw total energy
-17.7357
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.7137
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_4_spg107

Decomposition

InAg7 LaInAg4 LaIn3

Computed at

2023-07-02 17:06:33.497807

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: agm005807568).

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 agm005807568
data_agm005807568
_cell_length_a     4.61602
_cell_length_b     4.61488
_cell_length_c     6.94244
_cell_angle_alpha  70.61021
_cell_angle_beta   70.60339
_cell_angle_gamma  90.01902
_cell_volume       130.56423
_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 0.39885 0.20250 0.90791 1.00000
  In1 In 0.64580 0.94933 0.41349 1.00000
  In2 In 0.14587 0.44918 0.41346 1.00000
  In3 In 0.80054 0.60409 0.10441 1.00000
  Ag1 Ag 0.01670 0.82008 0.67186 1.00000
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