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Li8AgGe4

Alexandria ALEX

Alex-ID: agm097636860 · Space group: P1 (#1)

Basic Information

Formula
Li8AgGe4
Alex-ID
agm097636860
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
207.79
ų
Cell a
4.8702
Å
Cell b
8.2182
Å
Cell c
6.3700
Å
α angle
59.82
°
β angle
105.30
°
γ angle
87.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Li8AgGe4
Li
8.00 · 61.5%
Ag
1.00 · 7.7%
Ge
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0868
eV/atom
Formation energy
-0.2489
eV/atom
Corrected total energy
-39.8673
eV
Raw total energy
-39.8673
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3250
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1071_spg8

Decomposition

Li2Ge Li2AgGe

Computed at

2025-06-16 13:01:07

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: agm097636860).

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 agm097636860
data_agm097636860
_cell_length_a     4.87019
_cell_length_b     8.21824
_cell_length_c     6.37003
_cell_angle_alpha  59.82000
_cell_angle_beta   105.29873
_cell_angle_gamma  87.50927
_cell_volume       207.79186
_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 0.39968 0.03522 0.74172 1.00000
  Li2 Li 0.03860 0.22650 0.22686 1.00000
  Li3 Li 0.33523 0.84228 0.48772 1.00000
  Li4 Li 0.25815 0.70523 0.11443 1.00000
  Li5 Li 0.66544 0.43024 0.71622 1.00000
  Li6 Li 0.57912 0.32198 0.37675 1.00000
  Li7 Li 0.74982 0.61807 0.97828 1.00000
  Li8 Li 0.82618 0.76004 0.34765 1.00000
  Ag1 Ag 0.50520 0.12939 0.09824 1.00000
  Ge1 Ge 0.95952 0.06172 0.92021 1.00000
  Ge2 Ge 0.86677 0.93614 0.60313 1.00000
  Ge3 Ge 0.21406 0.52044 0.86406 1.00000
  Ge4 Ge 0.10224 0.41276 0.52473 1.00000
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