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Cd2Ag7Au3

Alexandria ALEX

Alex-ID: agm003352802 · Space group: P2/m (#10)

Basic Information

Formula
Cd2Ag7Au3
Alex-ID
agm003352802
Elements
3
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
228.61
ų
Cell a
2.9001
Å
Cell b
4.7783
Å
Cell c
16.5350
Å
α angle
93.85
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd2Ag7Au3
Cd
2.00 · 16.7%
Ag
7.00 · 58.3%
Au
3.00 · 25.0%

Energy & Stability

Energy above hull
0.1083
eV/atom
Formation energy
0.0261
eV/atom
Corrected total energy
-31.3250
eV
Raw total energy
-31.3250
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0083
eV
DOS at Fermi level
3.0040
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_103_spg10

Decomposition

Ag7Au2 Ag2Au CdAg2Au

Computed at

2022-02-02 20:41:46.775316

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: agm003352802).

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 agm003352802
data_agm003352802
_cell_length_a     2.90006
_cell_length_b     4.77830
_cell_length_c     16.53497
_cell_angle_alpha  93.85293
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       228.61285
_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 0.50000 0.70341 0.29330 1.00000
  Cd2 Cd 0.50000 0.29659 0.70670 1.00000
  Ag1 Ag 0.50000 0.74064 0.45914 1.00000
  Ag2 Ag 0.50000 0.25936 0.54086 1.00000
  Ag3 Ag 0.00000 0.67066 0.14244 1.00000
  Ag4 Ag 0.00000 0.00000 0.00000 1.00000
  Ag5 Ag 0.00000 0.32934 0.85756 1.00000
  Ag6 Ag 0.50000 0.82051 0.81391 1.00000
  Ag7 Ag 0.50000 0.17949 0.18609 1.00000
  Au1 Au 0.50000 0.50000 0.00000 1.00000
  Au2 Au 0.00000 0.22286 0.37875 1.00000
  Au3 Au 0.00000 0.77714 0.62125 1.00000
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