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Cd2Ag7Sn3

Alexandria ALEX

Alex-ID: agm101310312 · Space group: R-3m (#166)

Basic Information

Formula
Cd2Ag7Sn3
Alex-ID
agm101310312
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
259.05
ų
Cell a
9.9043
Å
Cell b
9.9043
Å
Cell c
9.9043
Å
α angle
33.18
°
β angle
33.18
°
γ angle
33.18
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd2Ag7Sn3
Cd
2.00 · 16.7%
Ag
7.00 · 58.3%
Sn
3.00 · 25.0%

Energy & Stability

Energy above hull
0.1008
eV/atom
Formation energy
0.0687
eV/atom
Corrected total energy
-32.9902
eV
Raw total energy
-32.9902
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.3651
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_54_spg12

Decomposition

Ag3Sn CdAg3 Sn

Computed at

2025-05-15 09:05:20

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: agm101310312).

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 agm101310312
data_agm101310312
_cell_length_a     9.90427
_cell_length_b     9.90427
_cell_length_c     9.90427
_cell_angle_alpha  33.18122
_cell_angle_beta   33.18122
_cell_angle_gamma  33.18122
_cell_volume       259.04592
_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 0.66634 0.66634 0.66634 1.00000
  Cd2 Cd 0.33366 0.33366 0.33366 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Ag2 Ag 0.41242 0.41242 0.91701 1.00000
  Ag3 Ag 0.91701 0.41242 0.41242 1.00000
  Ag4 Ag 0.41242 0.91701 0.41242 1.00000
  Ag5 Ag 0.58758 0.58758 0.08299 1.00000
  Ag6 Ag 0.58758 0.08299 0.58758 1.00000
  Ag7 Ag 0.08299 0.58758 0.58758 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
  Sn2 Sn 0.85744 0.85744 0.85744 1.00000
  Sn3 Sn 0.14256 0.14256 0.14256 1.00000
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