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La8InGa4

Alexandria ALEX

Alex-ID: agm098137362 · Space group: Pm (#6)

Basic Information

Formula
La8InGa4
Alex-ID
agm098137362
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
401.08
ų
Cell a
4.6022
Å
Cell b
9.5864
Å
Cell c
10.2564
Å
α angle
62.42
°
β angle
89.96
°
γ angle
89.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8InGa4
La
8.00 · 61.5%
In
1.00 · 7.7%
Ga
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1077
eV/atom
Formation energy
-0.3633
eV/atom
Corrected total energy
-59.0298
eV
Raw total energy
-59.0298
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.2650
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1802_spg8

Decomposition

La5Ga3 La5In3 LaGa

Computed at

2025-06-15 11:33:00

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: agm098137362).

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 agm098137362
data_agm098137362
_cell_length_a     4.60217
_cell_length_b     9.58641
_cell_length_c     10.25641
_cell_angle_alpha  62.42155
_cell_angle_beta   89.96426
_cell_angle_gamma  89.95647
_cell_volume       401.08125
_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 0.19168 0.12471 0.22136 1.00000
  La2 La 0.19242 0.68858 0.15847 1.00000
  La3 La 0.19254 0.70922 0.65703 1.00000
  La4 La 0.19096 0.14480 0.59949 1.00000
  La5 La 0.69331 0.73043 0.41566 1.00000
  La6 La 0.69178 0.38702 0.29091 1.00000
  La7 La 0.69244 0.36234 0.81308 1.00000
  La8 La 0.69209 0.80371 0.86073 1.00000
  In1 In 0.69202 0.98675 0.07610 1.00000
  Ga1 Ga 0.19236 0.07449 0.91427 1.00000
  Ga2 Ga 0.19304 0.49083 0.99266 1.00000
  Ga3 Ga 0.19393 0.48842 0.51075 1.00000
  Ga4 Ga 0.69142 0.00871 0.48948 1.00000
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