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Cd2Ag10Bi

Alexandria ALEX

Alex-ID: agm003385952 · Space group: Fmmm (#69)

Basic Information

Formula
Cd2Ag10Bi
Alex-ID
agm003385952
Elements
3
Sites
13
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
260.89
ų
Cell a
5.5728
Å
Cell b
7.3565
Å
Cell c
7.4191
Å
α angle
81.82
°
β angle
67.94
°
γ angle
67.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd2Ag10Bi
Cd
2.00 · 15.4%
Ag
10.00 · 76.9%
Bi
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1035
eV/atom
Formation energy
0.0749
eV/atom
Corrected total energy
-33.2668
eV
Raw total energy
-33.2667
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2499
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C10_0_spg69

Decomposition

CdAg3 Ag Bi

Computed at

2022-02-12 10:42:18.701401

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: agm003385952).

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 agm003385952
data_agm003385952
_cell_length_a     5.57278
_cell_length_b     7.35650
_cell_length_c     7.41911
_cell_angle_alpha  81.82177
_cell_angle_beta   67.94049
_cell_angle_gamma  67.74275
_cell_volume       260.88612
_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 0.00000 0.50000 0.00000 1.00000
  Cd2 Cd 0.50000 0.50000 0.00000 1.00000
  Ag1 Ag 0.35422 0.64957 0.64199 1.00000
  Ag2 Ag 0.64578 0.35043 0.35801 1.00000
  Ag3 Ag 0.00379 0.35043 0.64199 1.00000
  Ag4 Ag 0.99621 0.64957 0.35801 1.00000
  Ag5 Ag 0.00000 0.00000 0.50000 1.00000
  Ag6 Ag 0.50000 0.00000 0.50000 1.00000
  Ag7 Ag 0.28490 0.21395 0.21625 1.00000
  Ag8 Ag 0.71510 0.78605 0.78375 1.00000
  Ag9 Ag 0.49885 0.78605 0.21625 1.00000
  Ag10 Ag 0.50115 0.21395 0.78375 1.00000
  Bi1 Bi 0.00000 0.00000 0.00000 1.00000
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