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SrLiSn2

Alexandria ALEX

Alex-ID: agm005679404 · Space group: Cmcm (#63)

Basic Information

Formula
SrLiSn2
Alex-ID
agm005679404
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
220.96
ų
Cell a
4.9674
Å
Cell b
6.5271
Å
Cell c
7.3693
Å
α angle
90.00
°
β angle
90.00
°
γ angle
112.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLiSn2
Sr
2.00 · 25.0%
Li
2.00 · 25.0%
Sn
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0157
eV/atom
Formation energy
-0.5044
eV/atom
Corrected total energy
-27.2535
eV
Raw total energy
-27.2535
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.0725
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_30_spg63

Decomposition

SrLiSn2

Computed at

2023-07-12 05:42:37.239934

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: agm005679404).

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 agm005679404
data_agm005679404
_cell_length_a     4.96744
_cell_length_b     6.52714
_cell_length_c     7.36926
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  112.36600
_cell_volume       220.95999
_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 0.91845 0.83691 0.25000 1.00000
  Sr2 Sr 0.08155 0.16309 0.75000 1.00000
  Li1 Li 0.20443 0.40886 0.25000 1.00000
  Li2 Li 0.79557 0.59114 0.75000 1.00000
  Sn1 Sn 0.37756 0.75513 0.94615 1.00000
  Sn2 Sn 0.62244 0.24487 0.05385 1.00000
  Sn3 Sn 0.62244 0.24487 0.44615 1.00000
  Sn4 Sn 0.37756 0.75513 0.55385 1.00000
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