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Cs8Ag4Rh

Alexandria ALEX

Alex-ID: agm097949533 · Space group: Cm (#8)

Basic Information

Formula
Cs8Ag4Rh
Alex-ID
agm097949533
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
683.37
ų
Cell a
5.4208
Å
Cell b
12.1124
Å
Cell c
12.0106
Å
α angle
119.91
°
β angle
89.97
°
γ angle
91.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs8Ag4Rh
Cs
8.00 · 61.5%
Ag
4.00 · 30.8%
Rh
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1818
eV/atom
Formation energy
0.1818
eV/atom
Corrected total energy
-23.2442
eV
Raw total energy
-23.2442
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.3743
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_426_spg2

Decomposition

Cs Ag Rh

Computed at

2025-06-18 08:52:59

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: agm097949533).

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 agm097949533
data_agm097949533
_cell_length_a     5.42081
_cell_length_b     12.11238
_cell_length_c     12.01057
_cell_angle_alpha  119.90681
_cell_angle_beta   89.97286
_cell_angle_gamma  91.27251
_cell_volume       683.36903
_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 0.28293 0.87026 0.16630 1.00000
  Cs2 Cs 0.23359 0.30251 0.15159 1.00000
  Cs3 Cs 0.23914 0.25570 0.62853 1.00000
  Cs4 Cs 0.28350 0.86902 0.70291 1.00000
  Cs5 Cs 0.73692 0.20620 0.33030 1.00000
  Cs6 Cs 0.76797 0.64112 0.31908 1.00000
  Cs7 Cs 0.75167 0.62795 0.81399 1.00000
  Cs8 Cs 0.73755 0.20486 0.87570 1.00000
  Ag1 Ag 0.86451 0.98545 0.99273 1.00000
  Ag2 Ag 0.25011 0.49879 0.98564 1.00000
  Ag3 Ag 0.24898 0.49808 0.51445 1.00000
  Ag4 Ag 0.73195 0.00414 0.50125 1.00000
  Rh1 Rh 0.37117 0.03592 0.01752 1.00000
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