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Cd7Ag4Sn

Alexandria ALEX

Alex-ID: agm003665576 · Space group: C2/m (#12)

Basic Information

Formula
Cd7Ag4Sn
Alex-ID
agm003665576
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
278.83
ų
Cell a
5.2881
Å
Cell b
8.8935
Å
Cell c
6.7517
Å
α angle
81.78
°
β angle
66.95
°
γ angle
72.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd7Ag4Sn
Cd
7.00 · 58.3%
Ag
4.00 · 33.3%
Sn
1.00 · 8.3%

Energy & Stability

Energy above hull
0.1777
eV/atom
Formation energy
0.1311
eV/atom
Corrected total energy
-20.3000
eV
Raw total energy
-20.3000
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0489
eV
DOS at Fermi level
4.9797
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_85_spg12

Decomposition

Cd8Ag5 Cd2Ag Sn

Computed at

2022-04-08 14:37:34.815081

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: agm003665576).

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 agm003665576
data_agm003665576
_cell_length_a     5.28805
_cell_length_b     8.89347
_cell_length_c     6.75171
_cell_angle_alpha  81.78149
_cell_angle_beta   66.94540
_cell_angle_gamma  72.70450
_cell_volume       278.82924
_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 0.78607 0.88489 0.54297 1.00000
  Cd2 Cd 0.21393 0.11511 0.45703 1.00000
  Cd3 Cd 0.07039 0.64966 0.20955 1.00000
  Cd4 Cd 0.92961 0.35034 0.79045 1.00000
  Cd5 Cd 0.34919 0.57409 0.72754 1.00000
  Cd6 Cd 0.50000 0.00000 0.00000 1.00000
  Cd7 Cd 0.65081 0.42591 0.27246 1.00000
  Ag1 Ag 0.57180 0.22319 0.63321 1.00000
  Ag2 Ag 0.42820 0.77681 0.36679 1.00000
  Ag3 Ag 0.70627 0.66709 0.92037 1.00000
  Ag4 Ag 0.29373 0.33291 0.07963 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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