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Sr8Li4Ga

Alexandria ALEX

Alex-ID: agm097960733 · Space group: Imm2 (#44)

Basic Information

Formula
Sr8Li4Ga
Alex-ID
agm097960733
Elements
3
Sites
13
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
547.22
ų
Cell a
4.5482
Å
Cell b
8.9966
Å
Cell c
14.2903
Å
α angle
71.65
°
β angle
99.13
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Li4Ga
Sr
8.00 · 61.5%
Li
4.00 · 30.8%
Ga
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0668
eV/atom
Formation energy
-0.0056
eV/atom
Corrected total energy
-24.2732
eV
Raw total energy
-24.2732
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.6575
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1733_spg38

Decomposition

SrLiGa Sr Li

Computed at

2025-06-16 11:55:07

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: agm097960733).

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 agm097960733
data_agm097960733
_cell_length_a     4.54818
_cell_length_b     8.99664
_cell_length_c     14.29027
_cell_angle_alpha  71.65338
_cell_angle_beta   99.12972
_cell_angle_gamma  90.02730
_cell_volume       547.21696
_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
  Sr1 Sr 0.88032 0.17626 0.14375 1.00000
  Sr2 Sr 0.88021 0.68003 0.14384 1.00000
  Sr3 Sr 0.63439 0.67276 0.65422 1.00000
  Sr4 Sr 0.63326 0.17349 0.65269 1.00000
  Sr5 Sr 0.48011 0.82876 0.34257 1.00000
  Sr6 Sr 0.48727 0.32188 0.35641 1.00000
  Sr7 Sr 0.24013 0.30441 0.86684 1.00000
  Sr8 Sr 0.24015 0.82877 0.86683 1.00000
  Li1 Li 0.78638 0.02084 0.95827 1.00000
  Li2 Li 0.77578 0.53042 0.93961 1.00000
  Li3 Li 0.05796 0.50524 0.49929 1.00000
  Li4 Li 0.05790 0.99550 0.49921 1.00000
  Ga1 Ga 0.34614 0.96166 0.07646 1.00000
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