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La2Ga2Os2C

Alexandria ALEX

Alex-ID: agm004545352 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La2Ga2Os2C
Alex-ID
agm004545352
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
140.31
ų
Cell a
4.2698
Å
Cell b
6.1358
Å
Cell c
6.1756
Å
α angle
74.45
°
β angle
69.78
°
γ angle
69.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Ga2Os2C
La
2.00 · 28.6%
Ga
2.00 · 28.6%
Os
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4413
eV/atom
Corrected total energy
-50.6863
eV
Raw total energy
-50.6863
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0669
eV
DOS at Fermi level
4.0408
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_50_spg2

Decomposition

La2Ga2Os2C

Computed at

2022-06-22 01:05:04.814736

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: agm004545352).

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 agm004545352
data_agm004545352
_cell_length_a     4.26979
_cell_length_b     6.13583
_cell_length_c     6.17560
_cell_angle_alpha  74.44519
_cell_angle_beta   69.77556
_cell_angle_gamma  69.63865
_cell_volume       140.30628
_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 0.56163 0.16889 0.70785 1.00000
  La2 La 0.43837 0.83111 0.29215 1.00000
  Ga1 Ga 0.15951 0.39219 0.28879 1.00000
  Ga2 Ga 0.84049 0.60781 0.71121 1.00000
  Os1 Os 0.19480 0.69711 0.91330 1.00000
  Os2 Os 0.80520 0.30289 0.08670 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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