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Ag7Au5

Alexandria ALEX

Alex-ID: agm003293221 · Space group: C2/m (#12)

Basic Information

Formula
Ag7Au5
Alex-ID
agm003293221
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
217.58
ų
Cell a
4.9406
Å
Cell b
5.1162
Å
Cell c
10.2762
Å
α angle
104.80
°
β angle
90.00
°
γ angle
118.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag7Au5
Ag
7.00 · 58.3%
Au
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0377
eV/atom
Formation energy
-0.0067
eV/atom
Corrected total energy
-36.4254
eV
Raw total energy
-36.4254
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0328
eV
DOS at Fermi level
2.9665
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_90_spg12

Decomposition

AgAu Ag2Au

Computed at

2022-01-17 04:02:58.778761

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: agm003293221).

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 agm003293221
data_agm003293221
_cell_length_a     4.94061
_cell_length_b     5.11623
_cell_length_c     10.27624
_cell_angle_alpha  104.79725
_cell_angle_beta   90.00000
_cell_angle_gamma  118.87087
_cell_volume       217.58157
_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
  Ag1 Ag 0.41594 0.83189 0.74987 1.00000
  Ag2 Ag 0.58406 0.16811 0.25013 1.00000
  Ag3 Ag 0.91518 0.83036 0.25032 1.00000
  Ag4 Ag 0.08482 0.16964 0.74968 1.00000
  Ag5 Ag 0.66584 0.33168 0.99894 1.00000
  Ag6 Ag 0.50000 0.00000 0.50000 1.00000
  Ag7 Ag 0.33416 0.66832 0.00106 1.00000
  Au1 Au 0.16664 0.33327 0.49776 1.00000
  Au2 Au 0.83336 0.66673 0.50224 1.00000
  Au3 Au 0.24814 0.49629 0.24728 1.00000
  Au4 Au 0.75186 0.50371 0.75272 1.00000
  Au5 Au 0.00000 0.00000 0.00000 1.00000
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