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SrSiSn2Pt5

Alexandria ALEX

Alex-ID: agm005178085 · Space group: Immm (#71)

Basic Information

Formula
SrSiSn2Pt5
Alex-ID
agm005178085
Elements
4
Sites
9
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
188.66
ų
Cell a
4.6983
Å
Cell b
5.6826
Å
Cell c
7.9701
Å
α angle
110.88
°
β angle
107.14
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrSiSn2Pt5
Sr
1.00 · 11.1%
Si
1.00 · 11.1%
Sn
2.00 · 22.2%
Pt
5.00 · 55.6%

Energy & Stability

Energy above hull
0.2273
eV/atom
Formation energy
-0.5094
eV/atom
Corrected total energy
-50.1426
eV
Raw total energy
-50.1426
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0090
eV
DOS at Fermi level
4.3572
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_208_spg71

Decomposition

Sr3Si11Pt23 Sr(SnPt)2 SrPt2 SnPt

Computed at

2023-01-19 13:52:44.263668

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: agm005178085).

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 agm005178085
data_agm005178085
_cell_length_a     4.69831
_cell_length_b     5.68257
_cell_length_c     7.97011
_cell_angle_alpha  110.88496
_cell_angle_beta   107.14226
_cell_angle_gamma  90.00000
_cell_volume       188.65683
_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 0.00000 0.50000 0.00000 1.00000
  Si1 Si 0.50000 0.00000 0.00000 1.00000
  Sn1 Sn 0.19676 0.19676 0.39352 1.00000
  Sn2 Sn 0.80324 0.80324 0.60648 1.00000
  Pt1 Pt 0.63937 0.88733 0.27873 1.00000
  Pt2 Pt 0.36063 0.11267 0.72127 1.00000
  Pt3 Pt 0.36063 0.60860 0.72127 1.00000
  Pt4 Pt 0.63937 0.39140 0.27873 1.00000
  Pt5 Pt 0.00000 0.00000 0.00000 1.00000
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