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Cd5Ag3

Alexandria ALEX

Alex-ID: agm005534612 · Space group: Fmmm (#69)

Basic Information

Formula
Cd5Ag3
Alex-ID
agm005534612
Elements
2
Sites
8
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
159.64
ų
Cell a
5.2562
Å
Cell b
5.2562
Å
Cell c
6.8232
Å
α angle
105.25
°
β angle
105.25
°
γ angle
108.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd5Ag3
Cd
5.00 · 62.5%
Ag
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0264
eV/atom
Formation energy
-0.0252
eV/atom
Corrected total energy
-13.3728
eV
Raw total energy
-13.3728
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4472
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5_16_spg69

Decomposition

Cd8Ag5 Cd2Ag

Computed at

2023-05-27 21:59:28.306558

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: agm005534612).

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 agm005534612
data_agm005534612
_cell_length_a     5.25616
_cell_length_b     5.25616
_cell_length_c     6.82320
_cell_angle_alpha  105.24951
_cell_angle_beta   105.24952
_cell_angle_gamma  108.48894
_cell_volume       159.64069
_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 0.62654 0.12654 0.25308 1.00000
  Cd2 Cd 0.00000 0.00000 0.00000 1.00000
  Cd3 Cd 0.37346 0.87346 0.74692 1.00000
  Cd4 Cd 0.12654 0.62654 0.25308 1.00000
  Cd5 Cd 0.87346 0.37346 0.74692 1.00000
  Ag1 Ag 0.74870 0.74870 0.49740 1.00000
  Ag2 Ag 0.50000 0.50000 0.00000 1.00000
  Ag3 Ag 0.25130 0.25130 0.50260 1.00000
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