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Cd4Ag3

Alexandria ALEX

Alex-ID: agm009851895 · Space group: C2/m (#12)

Basic Information

Formula
Cd4Ag3
Alex-ID
agm009851895
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
138.15
ų
Cell a
5.3356
Å
Cell b
5.3356
Å
Cell c
6.7474
Å
α angle
84.85
°
β angle
84.85
°
γ angle
46.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd4Ag3
Cd
4.00 · 57.1%
Ag
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0140
eV/atom
Formation energy
-0.0383
eV/atom
Corrected total energy
-12.5159
eV
Raw total energy
-12.5159
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.3761
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_105_spg2

Decomposition

Cd8Ag5 CdAg

Computed at

2024-05-10 22:10:56.684825

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: agm009851895).

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 agm009851895
data_agm009851895
_cell_length_a     5.33556
_cell_length_b     5.33556
_cell_length_c     6.74745
_cell_angle_alpha  84.84887
_cell_angle_beta   84.84887
_cell_angle_gamma  46.27622
_cell_volume       138.15494
_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 0.92888 0.92888 0.71025 1.00000
  Cd2 Cd 0.07112 0.07112 0.28975 1.00000
  Cd3 Cd 0.78776 0.78776 0.14892 1.00000
  Cd4 Cd 0.21224 0.21224 0.85108 1.00000
  Ag1 Ag 0.50000 0.50000 0.00000 1.00000
  Ag2 Ag 0.64265 0.64265 0.57009 1.00000
  Ag3 Ag 0.35735 0.35735 0.42991 1.00000
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