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Rb3Cd5Ag6

Alexandria ALEX

Alex-ID: agm005704440 · Space group: Pmmn (#59)

Alexandria Database API

Basic Information

Formula
Rb3Cd5Ag6
Alex-ID
agm005704440
Elements
3
Sites
28
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
806.42
ų
Cell a
4.9966
Å
Cell b
11.4561
Å
Cell c
14.0881
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3Cd5Ag6
Rb
6.00 · 21.4%
Cd
10.00 · 35.7%
Ag
12.00 · 42.9%

Energy & Stability

Energy above hull
0.0861
eV/atom
Formation energy
0.0317
eV/atom
Corrected total energy
-48.3672
eV
Raw total energy
-48.3672
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.9159
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5C6_15_spg59

Decomposition

Rb2CdAg2 Rb2Cd3Ag2 CdAg3

Computed at

2023-06-30 16:05:59.692750

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: agm005704440).

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 agm005704440
data_agm005704440
_cell_length_a     4.99658
_cell_length_b     11.45611
_cell_length_c     14.08807
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       806.42029
_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 0.00000 0.25519 0.65367 1.00000
  Rb2 Rb 0.50000 0.74481 0.15367 1.00000
  Rb3 Rb 0.50000 0.74481 0.84633 1.00000
  Rb4 Rb 0.00000 0.24355 0.00000 1.00000
  Rb5 Rb 0.50000 0.75645 0.50000 1.00000
  Rb6 Rb 0.00000 0.25519 0.34633 1.00000
  Cd1 Cd 0.00000 0.51066 0.88569 1.00000
  Cd2 Cd 0.00000 0.84299 0.67082 1.00000
  Cd3 Cd 0.00000 0.90571 0.00000 1.00000
  Cd4 Cd 0.50000 0.48934 0.61431 1.00000
  Cd5 Cd 0.50000 0.09429 0.50000 1.00000
  Cd6 Cd 0.00000 0.51066 0.11431 1.00000
  Cd7 Cd 0.50000 0.48934 0.38569 1.00000
  Cd8 Cd 0.00000 0.84299 0.32918 1.00000
  Cd9 Cd 0.50000 0.15701 0.82918 1.00000
  Cd10 Cd 0.50000 0.15701 0.17082 1.00000
  Ag1 Ag 0.00000 0.01529 0.81629 1.00000
  Ag2 Ag 0.50000 0.98471 0.68371 1.00000
  Ag3 Ag 0.50000 0.41143 0.80810 1.00000
  Ag4 Ag 0.50000 0.48415 0.00000 1.00000
  Ag5 Ag 0.00000 0.51585 0.50000 1.00000
  Ag6 Ag 0.00000 0.58857 0.69190 1.00000
  Ag7 Ag 0.00000 0.58857 0.30810 1.00000
  Ag8 Ag 0.50000 0.01662 0.00000 1.00000
  Ag9 Ag 0.00000 0.01529 0.18371 1.00000
  Ag10 Ag 0.50000 0.41143 0.19190 1.00000
  Ag11 Ag 0.00000 0.98338 0.50000 1.00000
  Ag12 Ag 0.50000 0.98471 0.31629 1.00000
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