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La3(GaOs)2

Alexandria ALEX

Alex-ID: agm010022981 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
La3(GaOs)2
Alex-ID
agm010022981
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
178.44
ų
Cell a
9.5835
Å
Cell b
9.5835
Å
Cell c
9.5835
Å
α angle
153.66
°
β angle
152.76
°
γ angle
38.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3(GaOs)2
La
3.00 · 42.9%
Ga
2.00 · 28.6%
Os
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0133
eV/atom
Formation energy
-0.3699
eV/atom
Corrected total energy
-45.8898
eV
Raw total energy
-45.8898
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6471
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_203_spg71

Decomposition

LaGa La7Os3 Os

Computed at

2025-06-12 03:49:29

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: agm010022981).

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 agm010022981
data_agm010022981
_cell_length_a     9.58354
_cell_length_b     9.58354
_cell_length_c     9.58354
_cell_angle_alpha  153.66410
_cell_angle_beta   152.76037
_cell_angle_gamma  38.25077
_cell_volume       178.44160
_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 0.00000 0.50000 0.50000 1.00000
  La2 La 0.67881 0.67881 0.00000 1.00000
  La3 La 0.32119 0.32119 0.00000 1.00000
  Ga1 Ga 0.13345 0.13345 0.00000 1.00000
  Ga2 Ga 0.86655 0.86655 0.00000 1.00000
  Os1 Os 0.56658 0.06658 0.50000 1.00000
  Os2 Os 0.43342 0.93342 0.50000 1.00000
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