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Rb2Cd3Ag

Alexandria ALEX

Alex-ID: agm005678348 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Rb2Cd3Ag
Alex-ID
agm005678348
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
192.07
ų
Cell a
6.4148
Å
Cell b
6.4148
Å
Cell c
6.5291
Å
α angle
90.26
°
β angle
119.98
°
γ angle
119.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2Cd3Ag
Rb
2.00 · 33.3%
Cd
3.00 · 50.0%
Ag
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0439
eV/atom
Formation energy
-0.0199
eV/atom
Corrected total energy
-7.6765
eV
Raw total energy
-7.6765
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.2448
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_8_spg166

Decomposition

Rb2Cd3Ag2 Rb2Cd3

Computed at

2023-08-24 10:52:34.722628

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: agm005678348).

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 agm005678348
data_agm005678348
_cell_length_a     6.41475
_cell_length_b     6.41475
_cell_length_c     6.52915
_cell_angle_alpha  90.25651
_cell_angle_beta   119.97710
_cell_angle_gamma  119.13565
_cell_volume       192.07368
_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 0.74734 0.37349 0.12083 1.00000
  Rb2 Rb 0.25266 0.62651 0.87917 1.00000
  Cd1 Cd 0.50000 0.50000 0.50000 1.00000
  Cd2 Cd 0.00000 0.00000 0.50000 1.00000
  Cd3 Cd 0.50000 0.00000 0.50000 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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