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Cs4Cd2Ag

Alexandria ALEX

Alex-ID: agm096404084 · Space group: P2/m (#10)

Basic Information

Formula
Cs4Cd2Ag
Alex-ID
agm096404084
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
409.71
ų
Cell a
5.6132
Å
Cell b
6.4842
Å
Cell c
11.2577
Å
α angle
90.37
°
β angle
89.56
°
γ angle
89.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs4Cd2Ag
Cs
4.00 · 57.1%
Cd
2.00 · 28.6%
Ag
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0649
eV/atom
Formation energy
0.0190
eV/atom
Corrected total energy
-7.9913
eV
Raw total energy
-7.9913
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.2331
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6182_spg47

Decomposition

Cs2Cd Cs2CdAg2

Computed at

2025-04-10 13:31:08

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: agm096404084).

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 agm096404084
data_agm096404084
_cell_length_a     5.61321
_cell_length_b     6.48416
_cell_length_c     11.25769
_cell_angle_alpha  90.37277
_cell_angle_beta   89.55786
_cell_angle_gamma  89.54446
_cell_volume       409.71140
_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 0.72739 0.49862 0.83844 1.00000
  Cs2 Cs 0.72158 0.00269 0.32828 1.00000
  Cs3 Cs 0.27890 0.99708 0.67164 1.00000
  Cs4 Cs 0.27177 0.50161 0.16158 1.00000
  Cd1 Cd 0.00009 0.00012 0.99990 1.00000
  Cd2 Cd 0.00012 0.49978 0.50007 1.00000
  Ag1 Ag 0.50015 0.00011 0.00009 1.00000
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