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Sr8Sn

Alexandria ALEX

Alex-ID: agm007912945 · Space group: I4/mmm (#139)

Basic Information

Formula
Sr8Sn
Alex-ID
agm007912945
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
425.30
ų
Cell a
9.4399
Å
Cell b
9.4399
Å
Cell c
9.4399
Å
α angle
94.28
°
β angle
94.28
°
γ angle
148.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Sn
Sr
8.00 · 88.9%
Sn
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0924
eV/atom
Formation energy
-0.1154
eV/atom
Corrected total energy
-18.5576
eV
Raw total energy
-18.5576
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0765
eV
DOS at Fermi level
8.9022
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB8_33_spg139

Decomposition

Sr2Sn Sr

Computed at

2024-07-13 20:13:05.384910

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: agm007912945).

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 agm007912945
data_agm007912945
_cell_length_a     9.43991
_cell_length_b     9.43991
_cell_length_c     9.43991
_cell_angle_alpha  94.27966
_cell_angle_beta   94.27966
_cell_angle_gamma  148.29340
_cell_volume       425.29773
_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 0.64825 0.64825 0.29651 1.00000
  Sr2 Sr 0.35175 0.35175 0.70349 1.00000
  Sr3 Sr 0.00000 0.32960 0.32960 1.00000
  Sr4 Sr 0.35175 0.64825 0.00000 1.00000
  Sr5 Sr 0.67040 0.00000 0.67040 1.00000
  Sr6 Sr 0.64825 0.35175 0.00000 1.00000
  Sr7 Sr 0.00000 0.67040 0.67040 1.00000
  Sr8 Sr 0.32960 0.00000 0.32960 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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