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Cd4Ag

Alexandria ALEX

Alex-ID: agm005407316 · Space group: I4/mmm (#139)

Basic Information

Formula
Cd4Ag
Alex-ID
agm005407316
Elements
2
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
118.38
ų
Cell a
7.8561
Å
Cell b
7.8561
Å
Cell c
7.8561
Å
α angle
150.35
°
β angle
150.35
°
γ angle
42.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd4Ag
Cd
4.00 · 80.0%
Ag
1.00 · 20.0%

Energy & Stability

Energy above hull
0.2003
eV/atom
Formation energy
0.1707
eV/atom
Corrected total energy
-5.6922
eV
Raw total energy
-5.6922
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.1120
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_10_spg139

Decomposition

Cd2Ag Cd

Computed at

2023-03-17 09:11:11.410631

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: agm005407316).

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 agm005407316
data_agm005407316
_cell_length_a     7.85606
_cell_length_b     7.85606
_cell_length_c     7.85606
_cell_angle_alpha  150.34766
_cell_angle_beta   150.34766
_cell_angle_gamma  42.43131
_cell_volume       118.38368
_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 0.75000 0.25000 0.50000 1.00000
  Cd2 Cd 0.40597 0.40597 0.00000 1.00000
  Cd3 Cd 0.59403 0.59403 0.00000 1.00000
  Cd4 Cd 0.25000 0.75000 0.50000 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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