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La3Ag2Pt

Alexandria ALEX

Alex-ID: agm034375937 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
La3Ag2Pt
Alex-ID
agm034375937
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
159.85
ų
Cell a
5.2863
Å
Cell b
3.7908
Å
Cell c
8.4191
Å
α angle
90.00
°
β angle
108.65
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3Ag2Pt
La
3.00 · 50.0%
Ag
2.00 · 33.3%
Pt
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0173
eV/atom
Formation energy
-0.5516
eV/atom
Corrected total energy
-29.8823
eV
Raw total energy
-29.8823
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.3510
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_110_spg71

Decomposition

La4Pt3 La7Pt3 LaAg2

Computed at

2025-04-13 14:44:08

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: agm034375937).

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 agm034375937
data_agm034375937
_cell_length_a     5.28629
_cell_length_b     3.79077
_cell_length_c     8.41908
_cell_angle_alpha  90.00000
_cell_angle_beta   108.65255
_cell_angle_gamma  90.00000
_cell_volume       159.84931
_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 0.50000 0.50000 0.00000 1.00000
  La2 La 0.15373 0.50000 0.30111 1.00000
  La3 La 0.84627 0.50000 0.69889 1.00000
  Ag1 Ag 0.68919 0.00000 0.36740 1.00000
  Ag2 Ag 0.31081 0.00000 0.63260 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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