Navigation

HEAS Data Platform · Materials Science Database

SrSn5

Alexandria ALEX

Alex-ID: agm003299062 · Space group: Immm (#71)

Basic Information

Formula
SrSn5
Alex-ID
agm003299062
Elements
2
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
179.19
ų
Cell a
4.6249
Å
Cell b
6.9024
Å
Cell c
6.9024
Å
α angle
62.07
°
β angle
70.43
°
γ angle
70.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrSn5
Sr
1.00 · 16.7%
Sn
5.00 · 83.3%

Energy & Stability

Energy above hull
0.0138
eV/atom
Formation energy
-0.2562
eV/atom
Corrected total energy
-23.2411
eV
Raw total energy
-23.2411
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0572
eV
DOS at Fermi level
3.4306
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_52_spg71

Decomposition

SrSn3 Sn

Computed at

2022-01-17 14:19:48.095088

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: agm003299062).

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 agm003299062
data_agm003299062
_cell_length_a     4.62488
_cell_length_b     6.90245
_cell_length_c     6.90245
_cell_angle_alpha  62.07144
_cell_angle_beta   70.42642
_cell_angle_gamma  70.42642
_cell_volume       179.18577
_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 0.50000 0.00000 0.00000 1.00000
  Sn1 Sn 0.83575 0.87418 0.45432 1.00000
  Sn2 Sn 0.50000 0.50000 0.50000 1.00000
  Sn3 Sn 0.16425 0.12582 0.54568 1.00000
  Sn4 Sn 0.16425 0.54568 0.12582 1.00000
  Sn5 Sn 0.83575 0.45432 0.87418 1.00000
Get direct link