Navigation

HEAS Data Platform · Materials Science Database

Sr8Li2Ga

Alexandria ALEX

Alex-ID: agm003530689 · Space group: C2/m (#12)

Basic Information

Formula
Sr8Li2Ga
Alex-ID
agm003530689
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
478.24
ų
Cell a
5.9959
Å
Cell b
8.0646
Å
Cell c
10.8088
Å
α angle
107.03
°
β angle
106.10
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Li2Ga
Sr
8.00 · 72.7%
Li
2.00 · 18.2%
Ga
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0571
eV/atom
Formation energy
-0.0285
eV/atom
Corrected total energy
-20.6863
eV
Raw total energy
-20.6863
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7398
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

SrLiGa Sr Li

Computed at

2022-03-15 17:51:56.901128

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: agm003530689).

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 agm003530689
data_agm003530689
_cell_length_a     5.99586
_cell_length_b     8.06456
_cell_length_c     10.80882
_cell_angle_alpha  107.03321
_cell_angle_beta   106.10269
_cell_angle_gamma  90.00000
_cell_volume       478.23626
_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 0.40987 0.57291 0.81975 1.00000
  Sr2 Sr 0.65614 0.96577 0.31227 1.00000
  Sr3 Sr 0.79698 0.69300 0.59395 1.00000
  Sr4 Sr 0.97534 0.20718 0.95067 1.00000
  Sr5 Sr 0.20302 0.30700 0.40605 1.00000
  Sr6 Sr 0.34386 0.03423 0.68773 1.00000
  Sr7 Sr 0.59013 0.42709 0.18025 1.00000
  Sr8 Sr 0.02466 0.79282 0.04933 1.00000
  Li1 Li 0.81842 0.28647 0.63683 1.00000
  Li2 Li 0.18158 0.71353 0.36317 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Get direct link