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Sn8Pt7

Alexandria ALEX

Alex-ID: agm007844544 · Space group: P2/m (#10)

Basic Information

Formula
Sn8Pt7
Alex-ID
agm007844544
Elements
2
Sites
15
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
337.48
ų
Cell a
4.1173
Å
Cell b
5.5475
Å
Cell c
14.7833
Å
α angle
91.90
°
β angle
89.99
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sn8Pt7
Sn
8.00 · 53.3%
Pt
7.00 · 46.7%

Energy & Stability

Energy above hull
0.1222
eV/atom
Formation energy
-0.4161
eV/atom
Corrected total energy
-80.8810
eV
Raw total energy
-80.8810
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0090
eV
DOS at Fermi level
7.1758
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A7B8_107_spg10

Decomposition

Sn3Pt2 SnPt

Computed at

2024-03-08 03:43:31.072365

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: agm007844544).

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 agm007844544
data_agm007844544
_cell_length_a     4.11730
_cell_length_b     5.54753
_cell_length_c     14.78331
_cell_angle_alpha  91.90240
_cell_angle_beta   89.99388
_cell_angle_gamma  90.00400
_cell_volume       337.47733
_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
  Sn1 Sn 0.00017 0.76266 0.32596 1.00000
  Sn2 Sn 0.99974 0.73657 0.84244 1.00000
  Sn3 Sn 0.00026 0.26343 0.15756 1.00000
  Sn4 Sn 0.99983 0.23734 0.67404 1.00000
  Sn5 Sn 0.49997 0.75647 0.08907 1.00000
  Sn6 Sn 0.49994 0.71687 0.55226 1.00000
  Sn7 Sn 0.50006 0.28313 0.44774 1.00000
  Sn8 Sn 0.50003 0.24353 0.91093 1.00000
  Pt1 Pt 0.00013 0.24991 0.33562 1.00000
  Pt2 Pt 0.49978 0.48084 0.75731 1.00000
  Pt3 Pt 0.50022 0.51916 0.24269 1.00000
  Pt4 Pt 0.99987 0.75009 0.66438 1.00000
  Pt5 Pt 0.00000 0.00000 0.00000 1.00000
  Pt6 Pt 0.00000 0.00000 0.50000 1.00000
  Pt7 Pt 0.00000 0.50000 0.00000 1.00000
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