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Cd9Ag2Au

Alexandria ALEX

Alex-ID: agm005908030 · Space group: P-1 (#2)

Basic Information

Formula
Cd9Ag2Au
Alex-ID
agm005908030
Elements
3
Sites
12
Space group
P-1 (#2)
Crystal system
triclinic
Volume
250.73
ų
Cell a
5.4358
Å
Cell b
6.6793
Å
Cell c
7.0621
Å
α angle
96.52
°
β angle
82.71
°
γ angle
97.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd9Ag2Au
Cd
9.00 · 75.0%
Ag
2.00 · 16.7%
Au
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0360
eV/atom
Formation energy
-0.0320
eV/atom
Corrected total energy
-17.6759
eV
Raw total energy
-17.6759
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6798
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C9_110_spg2

Decomposition

Cd2Ag Cd3Au Cd

Computed at

2023-07-24 05:15:57.879620

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: agm005908030).

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 agm005908030
data_agm005908030
_cell_length_a     5.43575
_cell_length_b     6.67932
_cell_length_c     7.06206
_cell_angle_alpha  96.51778
_cell_angle_beta   82.71265
_cell_angle_gamma  97.85968
_cell_volume       250.73350
_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
  Cd1 Cd 0.25645 0.40524 0.91721 1.00000
  Cd2 Cd 0.74355 0.59476 0.08279 1.00000
  Cd3 Cd 0.50000 0.50000 0.50000 1.00000
  Cd4 Cd 0.47908 0.84123 0.83224 1.00000
  Cd5 Cd 0.77227 0.24001 0.74173 1.00000
  Cd6 Cd 0.98653 0.68442 0.66813 1.00000
  Cd7 Cd 0.52092 0.15877 0.16776 1.00000
  Cd8 Cd 0.01347 0.31558 0.33187 1.00000
  Cd9 Cd 0.22773 0.75999 0.25827 1.00000
  Ag1 Ag 0.26280 0.08692 0.58048 1.00000
  Ag2 Ag 0.73720 0.91308 0.41952 1.00000
  Au1 Au 0.00000 0.00000 0.00000 1.00000
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