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SrLiSn2Pt

Alexandria ALEX

Alex-ID: agm005017873 · Space group: I-4m2 (#119)

Basic Information

Formula
SrLiSn2Pt
Alex-ID
agm005017873
Elements
4
Sites
5
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
121.23
ų
Cell a
4.6293
Å
Cell b
4.6293
Å
Cell c
6.5357
Å
α angle
110.74
°
β angle
110.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLiSn2Pt
Sr
1.00 · 20.0%
Li
1.00 · 20.0%
Sn
2.00 · 40.0%
Pt
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0719
eV/atom
Formation energy
-0.6136
eV/atom
Corrected total energy
-20.7653
eV
Raw total energy
-20.7653
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.3346
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_3_spg107

Decomposition

SrSn2Pt Li2SnPt SrSn

Computed at

2022-07-04 13:17:07.481146

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: agm005017873).

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 agm005017873
data_agm005017873
_cell_length_a     4.62933
_cell_length_b     4.62933
_cell_length_c     6.53571
_cell_angle_alpha  110.74180
_cell_angle_beta   110.74180
_cell_angle_gamma  90.00000
_cell_volume       121.23076
_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
  Li1 Li 0.75000 0.25000 0.50000 1.00000
  Sn1 Sn 0.62886 0.62886 0.25773 1.00000
  Sn2 Sn 0.37114 0.37114 0.74227 1.00000
  Pt1 Pt 0.25000 0.75000 0.50000 1.00000
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