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Li4GaPt

Alexandria ALEX

Alex-ID: agm005751222 · Space group: Immm (#71)

Basic Information

Formula
Li4GaPt
Alex-ID
agm005751222
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
85.81
ų
Cell a
4.3761
Å
Cell b
5.0968
Å
Cell c
5.0968
Å
α angle
98.32
°
β angle
115.01
°
γ angle
115.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Li4GaPt
Li
4.00 · 66.7%
Ga
1.00 · 16.7%
Pt
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4489
eV/atom
Corrected total energy
-19.4681
eV
Raw total energy
-19.4681
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.8679
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1206_spg12

Decomposition

Li4GaPt

Computed at

2023-07-28 22:02:31.754404

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: agm005751222).

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 agm005751222
data_agm005751222
_cell_length_a     4.37611
_cell_length_b     5.09679
_cell_length_c     5.09679
_cell_angle_alpha  98.31953
_cell_angle_beta   115.01365
_cell_angle_gamma  115.01365
_cell_volume       85.80682
_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
  Li1 Li 0.24474 0.41227 0.57809 1.00000
  Li2 Li 0.24474 0.07809 0.91227 1.00000
  Li3 Li 0.75526 0.92191 0.08773 1.00000
  Li4 Li 0.75526 0.58773 0.42191 1.00000
  Ga1 Ga 0.00000 0.50000 0.00000 1.00000
  Pt1 Pt 0.50000 0.00000 0.50000 1.00000
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