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La8SnPt2

Alexandria ALEX

Alex-ID: agm006011102 · Space group: Cm (#8)

Basic Information

Formula
La8SnPt2
Alex-ID
agm006011102
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
348.83
ų
Cell a
5.5243
Å
Cell b
8.4272
Å
Cell c
8.4272
Å
α angle
114.11
°
β angle
97.07
°
γ angle
97.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8SnPt2
La
8.00 · 72.7%
Sn
1.00 · 9.1%
Pt
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1163
eV/atom
Formation energy
-0.5334
eV/atom
Corrected total energy
-61.4657
eV
Raw total energy
-61.4657
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0170
eV
DOS at Fermi level
13.8244
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_295_spg12

Decomposition

La3Sn La7Pt3 La

Computed at

2023-09-30 05:53:52

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: agm006011102).

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 agm006011102
data_agm006011102
_cell_length_a     5.52432
_cell_length_b     8.42723
_cell_length_c     8.42723
_cell_angle_alpha  114.10782
_cell_angle_beta   97.06604
_cell_angle_gamma  97.06605
_cell_volume       348.82683
_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
  La1 La 0.57232 0.29583 0.07475 1.00000
  La2 La 0.57232 0.07475 0.29583 1.00000
  La3 La 0.18842 0.38930 0.38930 1.00000
  La4 La 0.99725 0.27006 0.76903 1.00000
  La5 La 0.99725 0.76903 0.27006 1.00000
  La6 La 0.79827 0.61555 0.61555 1.00000
  La7 La 0.44879 0.94305 0.68980 1.00000
  La8 La 0.44879 0.68980 0.94305 1.00000
  Sn1 Sn 0.00561 0.00147 0.00147 1.00000
  Pt1 Pt 0.48531 0.67645 0.30865 1.00000
  Pt2 Pt 0.48531 0.30866 0.67645 1.00000
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