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LaSi2Pt

Alexandria ALEX

Alex-ID: agm002186263 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
LaSi2Pt
Alex-ID
agm002186263
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
158.13
ų
Cell a
4.2749
Å
Cell b
4.3714
Å
Cell c
8.7381
Å
α angle
104.44
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaSi2Pt
Si
4.00 · 50.0%
Pt
2.00 · 25.0%
La
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.0301
eV/atom
Corrected total energy
-51.9638
eV
Raw total energy
-51.9638
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3362
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_47_spg63

Decomposition

LaSi2Pt

Computed at

2018-05-31 21:16:40

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: agm002186263).

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 agm002186263
data_agm002186263
_cell_length_a     4.27488
_cell_length_b     4.37139
_cell_length_c     8.73811
_cell_angle_alpha  104.44326
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       158.12996
_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
  Si1 Si 0.25000 0.75093 0.50210 1.00000
  Si2 Si 0.75000 0.24907 0.49790 1.00000
  Si3 Si 0.75000 0.53549 0.07230 1.00000
  Si4 Si 0.25000 0.46451 0.92770 1.00000
  Pt1 Pt 0.75000 0.68055 0.36060 1.00000
  Pt2 Pt 0.25000 0.31945 0.63940 1.00000
  La1 La 0.25000 0.10518 0.21034 1.00000
  La2 La 0.75000 0.89482 0.78966 1.00000
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