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Ga8Ag6Ge

Alexandria ALEX

Alex-ID: agm072464409 · Space group: R-3 (#148)

Basic Information

Formula
Ga8Ag6Ge
Alex-ID
agm072464409
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
283.56
ų
Cell a
6.6155
Å
Cell b
6.6155
Å
Cell c
6.6155
Å
α angle
83.01
°
β angle
83.01
°
γ angle
83.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga8Ag6Ge
Ga
8.00 · 53.3%
Ag
6.00 · 40.0%
Ge
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0984
eV/atom
Formation energy
0.0398
eV/atom
Corrected total energy
-45.3625
eV
Raw total energy
-45.3625
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1185
eV
DOS at Fermi level
4.1183
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_378_spg148

Decomposition

Ga4Ag3 Ge

Computed at

2024-10-06 05:42:55.087354

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: agm072464409).

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 agm072464409
data_agm072464409
_cell_length_a     6.61553
_cell_length_b     6.61553
_cell_length_c     6.61553
_cell_angle_alpha  83.01126
_cell_angle_beta   83.01126
_cell_angle_gamma  83.01126
_cell_volume       283.56107
_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
  Ga1 Ga 0.22881 0.22881 0.22881 1.00000
  Ga2 Ga 0.77119 0.77119 0.77119 1.00000
  Ga3 Ga 0.83729 0.06087 0.38379 1.00000
  Ga4 Ga 0.38379 0.83729 0.06087 1.00000
  Ga5 Ga 0.06087 0.38379 0.83729 1.00000
  Ga6 Ga 0.16271 0.93913 0.61621 1.00000
  Ga7 Ga 0.61621 0.16271 0.93913 1.00000
  Ga8 Ga 0.93913 0.61621 0.16271 1.00000
  Ag1 Ag 0.19641 0.57523 0.45228 1.00000
  Ag2 Ag 0.45228 0.19641 0.57523 1.00000
  Ag3 Ag 0.57523 0.45228 0.19641 1.00000
  Ag4 Ag 0.80359 0.42477 0.54772 1.00000
  Ag5 Ag 0.54772 0.80359 0.42477 1.00000
  Ag6 Ag 0.42477 0.54772 0.80359 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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