Navigation

HEAS Data Platform · Materials Science Database

La3Mg3Ga8

Alexandria ALEX

Alex-ID: agm003376524 · Space group: Immm (#71)

Basic Information

Formula
La3Mg3Ga8
Alex-ID
agm003376524
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
304.20
ų
Cell a
4.4387
Å
Cell b
8.8139
Å
Cell c
8.8139
Å
α angle
67.80
°
β angle
75.42
°
γ angle
75.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3Mg3Ga8
La
3.00 · 21.4%
Mg
3.00 · 21.4%
Ga
8.00 · 57.1%

Energy & Stability

Energy above hull
0.0095
eV/atom
Formation energy
-0.5072
eV/atom
Corrected total energy
-50.9011
eV
Raw total energy
-50.9011
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4088
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_19_spg12

Decomposition

LaMgGa3 La(MgGa)2 La3Ga8

Computed at

2022-02-09 00:35:40.634051

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: agm003376524).

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 agm003376524
data_agm003376524
_cell_length_a     4.43866
_cell_length_b     8.81390
_cell_length_c     8.81390
_cell_angle_alpha  67.79557
_cell_angle_beta   75.41601
_cell_angle_gamma  75.41601
_cell_volume       304.20153
_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 0.50000 0.50000 0.50000 1.00000
  La2 La 0.79957 0.20043 0.20043 1.00000
  La3 La 0.20043 0.79957 0.79957 1.00000
  Mg1 Mg 0.50000 0.00000 0.00000 1.00000
  Mg2 Mg 0.00000 0.78926 0.21074 1.00000
  Mg3 Mg 0.00000 0.21074 0.78926 1.00000
  Ga1 Ga 0.64358 0.07898 0.63387 1.00000
  Ga2 Ga 0.35642 0.92102 0.36613 1.00000
  Ga3 Ga 0.64358 0.63387 0.07898 1.00000
  Ga4 Ga 0.35642 0.36613 0.92102 1.00000
  Ga5 Ga 0.83683 0.79612 0.53021 1.00000
  Ga6 Ga 0.16317 0.20388 0.46979 1.00000
  Ga7 Ga 0.83683 0.53021 0.79612 1.00000
  Ga8 Ga 0.16317 0.46979 0.20388 1.00000
Get direct link