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Li9Ag2Pt

Alexandria ALEX

Alex-ID: agm102024902 · Space group: Immm (#71)

Basic Information

Formula
Li9Ag2Pt
Alex-ID
agm102024902
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
190.83
ų
Cell a
8.2207
Å
Cell b
8.2207
Å
Cell c
3.1721
Å
α angle
101.26
°
β angle
78.74
°
γ angle
113.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Li9Ag2Pt
Li
9.00 · 75.0%
Ag
2.00 · 16.7%
Pt
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0418
eV/atom
Formation energy
-0.2055
eV/atom
Corrected total energy
-31.4807
eV
Raw total energy
-31.4807
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1333
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C9_678_spg8

Decomposition

Li15Pt4 Li3Ag Li2Pt

Computed at

2025-05-19 23:20:23

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: agm102024902).

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 agm102024902
data_agm102024902
_cell_length_a     8.22071
_cell_length_b     8.22071
_cell_length_c     3.17210
_cell_angle_alpha  101.25813
_cell_angle_beta   78.74187
_cell_angle_gamma  113.73805
_cell_volume       190.82697
_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 0.19744 0.80256 0.42794 1.00000
  Li2 Li 0.95389 0.54585 0.92131 1.00000
  Li3 Li 0.54024 0.45976 0.08413 1.00000
  Li4 Li 0.12619 0.37418 0.24849 1.00000
  Li5 Li 0.88340 0.11660 0.74191 1.00000
  Li6 Li 0.26926 0.18885 0.58435 1.00000
  Li7 Li 0.81115 0.73074 0.58435 1.00000
  Li8 Li 0.45415 0.04611 0.92131 1.00000
  Li9 Li 0.62582 0.87381 0.24849 1.00000
  Ag1 Ag 0.36867 0.63133 0.75564 1.00000
  Ag2 Ag 0.71198 0.28802 0.41325 1.00000
  Pt1 Pt 0.04042 0.95958 0.08450 1.00000
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