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Cs3(CdAg)2

Alexandria ALEX

Alex-ID: agm010012410 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Cs3(CdAg)2
Alex-ID
agm010012410
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
314.32
ų
Cell a
11.8290
Å
Cell b
11.8290
Å
Cell c
11.8290
Å
α angle
154.75
°
β angle
153.52
°
γ angle
36.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs3(CdAg)2
Cs
3.00 · 42.9%
Cd
2.00 · 28.6%
Ag
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0457
eV/atom
Formation energy
-0.0047
eV/atom
Corrected total energy
-10.1521
eV
Raw total energy
-10.1521
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4188
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_1710_spg12

Decomposition

Cs3Cd2 Cs2CdAg2 Cs3Cd8

Computed at

2024-05-06 14:15:48.788492

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: agm010012410).

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 agm010012410
data_agm010012410
_cell_length_a     11.82905
_cell_length_b     11.82905
_cell_length_c     11.82905
_cell_angle_alpha  154.75422
_cell_angle_beta   153.52084
_cell_angle_gamma  36.90969
_cell_volume       314.32371
_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
  Cs1 Cs 0.00000 0.00000 0.00000 1.00000
  Cs2 Cs 0.81123 0.31123 0.50000 1.00000
  Cs3 Cs 0.18877 0.68877 0.50000 1.00000
  Cd1 Cd 0.43153 0.43153 0.00000 1.00000
  Cd2 Cd 0.56847 0.56847 0.00000 1.00000
  Ag1 Ag 0.37267 0.87267 0.50000 1.00000
  Ag2 Ag 0.62733 0.12733 0.50000 1.00000
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