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Ag9Au2

Alexandria ALEX

Alex-ID: agm050683441 · Space group: P-1 (#2)

Basic Information

Formula
Ag9Au2
Alex-ID
agm050683441
Elements
2
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
197.02
ų
Cell a
5.1025
Å
Cell b
5.0779
Å
Cell c
7.7684
Å
α angle
97.33
°
β angle
89.25
°
γ angle
99.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag9Au2
Ag
9.00 · 81.8%
Au
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0072
eV/atom
Formation energy
-0.0141
eV/atom
Corrected total energy
-32.3707
eV
Raw total energy
-32.3707
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5291
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B9_72_spg2

Decomposition

Ag7Au2 Ag

Computed at

2024-11-03 07:27:08.159192

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: agm050683441).

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 agm050683441
data_agm050683441
_cell_length_a     5.10246
_cell_length_b     5.07787
_cell_length_c     7.76844
_cell_angle_alpha  97.33008
_cell_angle_beta   89.24554
_cell_angle_gamma  99.26634
_cell_volume       197.02194
_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 0.40827 0.45394 0.81687 1.00000
  Ag2 Ag 0.68133 0.09113 0.36407 1.00000
  Ag3 Ag 0.77402 0.63652 0.54599 1.00000
  Ag4 Ag 0.04608 0.27254 0.09082 1.00000
  Ag5 Ag 0.22598 0.36348 0.45401 1.00000
  Ag6 Ag 0.31867 0.90887 0.63593 1.00000
  Ag7 Ag 0.59173 0.54606 0.18313 1.00000
  Ag8 Ag 0.95392 0.72746 0.90918 1.00000
  Ag9 Ag 0.50000 0.00000 0.00000 1.00000
  Au1 Au 0.86238 0.18202 0.72881 1.00000
  Au2 Au 0.13762 0.81798 0.27119 1.00000
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