Navigation

HEAS Data Platform · Materials Science Database

Rb2Cd3Ag4

Alexandria ALEX

Alex-ID: agm005663876 · Space group: Ibam (#72)

Basic Information

Formula
Rb2Cd3Ag4
Alex-ID
agm005663876
Elements
3
Sites
18
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
555.00
ų
Cell a
7.2306
Å
Cell b
9.5834
Å
Cell c
9.5834
Å
α angle
92.88
°
β angle
67.84
°
γ angle
67.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2Cd3Ag4
Rb
4.00 · 22.2%
Cd
6.00 · 33.3%
Ag
8.00 · 44.4%

Energy & Stability

Energy above hull
0.1208
eV/atom
Formation energy
0.0692
eV/atom
Corrected total energy
-30.9768
eV
Raw total energy
-30.9768
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0762
eV
DOS at Fermi level
5.8753
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_1075_spg72

Decomposition

Rb2CdAg2 Rb2Cd3Ag2 CdAg3

Computed at

2023-06-28 00:40:20.483926

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: agm005663876).

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 agm005663876
data_agm005663876
_cell_length_a     7.23056
_cell_length_b     9.58336
_cell_length_c     9.58336
_cell_angle_alpha  92.88395
_cell_angle_beta   67.83684
_cell_angle_gamma  67.83683
_cell_volume       555.00441
_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
  Rb1 Rb 0.73972 0.62175 0.37825 1.00000
  Rb2 Rb 0.76028 0.12175 0.87825 1.00000
  Rb3 Rb 0.23972 0.87825 0.12175 1.00000
  Rb4 Rb 0.26028 0.37825 0.62175 1.00000
  Cd1 Cd 0.25000 0.49715 0.00285 1.00000
  Cd2 Cd 0.25000 0.00285 0.49715 1.00000
  Cd3 Cd 0.75000 0.99715 0.50285 1.00000
  Cd4 Cd 0.75000 0.75000 0.75000 1.00000
  Cd5 Cd 0.75000 0.50285 0.99715 1.00000
  Cd6 Cd 0.25000 0.25000 0.25000 1.00000
  Ag1 Ag 0.36935 0.99652 0.75018 1.00000
  Ag2 Ag 0.86935 0.25018 0.49652 1.00000
  Ag3 Ag 0.61605 0.50348 0.74982 1.00000
  Ag4 Ag 0.63065 0.00348 0.24982 1.00000
  Ag5 Ag 0.13065 0.74982 0.50348 1.00000
  Ag6 Ag 0.38395 0.49652 0.25018 1.00000
  Ag7 Ag 0.11605 0.24982 0.00348 1.00000
  Ag8 Ag 0.88395 0.75018 0.99652 1.00000
Get direct link