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SrSn5Pt2

Alexandria ALEX

Alex-ID: agm002358043 · Space group: P-1 (#2)

Basic Information

Formula
SrSn5Pt2
Alex-ID
agm002358043
Elements
3
Sites
8
Space group
P-1 (#2)
Crystal system
triclinic
Volume
205.42
ų
Cell a
4.7176
Å
Cell b
6.5617
Å
Cell c
8.1624
Å
α angle
70.11
°
β angle
62.54
°
γ angle
69.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrSn5Pt2
Sr
1.00 · 12.5%
Sn
5.00 · 62.5%
Pt
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1096
eV/atom
Formation energy
-0.4346
eV/atom
Corrected total energy
-37.3569
eV
Raw total energy
-37.3569
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0817
eV
DOS at Fermi level
3.1375
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_199_spg2

Decomposition

Sn2Pt SrSn3Pt

Computed at

2019-02-07 20:39:05

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: agm002358043).

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 agm002358043
data_agm002358043
_cell_length_a     4.71762
_cell_length_b     6.56175
_cell_length_c     8.16240
_cell_angle_alpha  70.11080
_cell_angle_beta   62.53517
_cell_angle_gamma  69.83815
_cell_volume       205.41547
_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 0.00000 0.00000 1.00000
  Sn1 Sn 0.00000 0.50000 0.50000 1.00000
  Sn2 Sn 0.60788 0.53861 0.14251 1.00000
  Sn3 Sn 0.39212 0.46139 0.85749 1.00000
  Sn4 Sn 0.36655 0.87281 0.43190 1.00000
  Sn5 Sn 0.63345 0.12719 0.56810 1.00000
  Pt1 Pt 0.87096 0.72442 0.76772 1.00000
  Pt2 Pt 0.12904 0.27558 0.23228 1.00000
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