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Sr8SnPt4

Alexandria ALEX

Alex-ID: agm097440887 · Space group: Pm (#6)

Basic Information

Formula
Sr8SnPt4
Alex-ID
agm097440887
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
432.80
ų
Cell a
4.5568
Å
Cell b
9.5296
Å
Cell c
11.1946
Å
α angle
62.92
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8SnPt4
Sr
8.00 · 61.5%
Sn
1.00 · 7.7%
Pt
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1116
eV/atom
Formation energy
-0.6097
eV/atom
Corrected total energy
-49.7970
eV
Raw total energy
-49.7970
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0478
eV
DOS at Fermi level
7.4308
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1725_spg6

Decomposition

Sr5SnPt2 Sr3Pt2

Computed at

2025-06-19 06:28:27

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: agm097440887).

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 agm097440887
data_agm097440887
_cell_length_a     4.55678
_cell_length_b     9.52955
_cell_length_c     11.19457
_cell_angle_alpha  62.91556
_cell_angle_beta   89.99961
_cell_angle_gamma  89.99730
_cell_volume       432.80491
_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 0.88457 0.37159 0.90888 1.00000
  Sr2 Sr 0.88461 0.72496 0.24993 1.00000
  Sr3 Sr 0.38469 0.66220 0.56396 1.00000
  Sr4 Sr 0.88462 0.92067 0.68165 1.00000
  Sr5 Sr 0.88465 0.10247 0.28568 1.00000
  Sr6 Sr 0.38475 0.36990 0.37167 1.00000
  Sr7 Sr 0.38453 0.19705 0.73114 1.00000
  Sr8 Sr 0.38463 0.69954 0.98832 1.00000
  Sn1 Sn 0.38458 0.02666 0.06726 1.00000
  Pt1 Pt 0.88446 0.99148 0.94422 1.00000
  Pt2 Pt 0.88470 0.47166 0.14949 1.00000
  Pt3 Pt 0.88460 0.44601 0.56412 1.00000
  Pt4 Pt 0.38461 0.01582 0.49368 1.00000
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