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Rb4Cd8Ge

Alexandria ALEX

Alex-ID: agm098041005 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
Rb4Cd8Ge
Alex-ID
agm098041005
Elements
3
Sites
13
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
535.34
ų
Cell a
9.9410
Å
Cell b
9.9410
Å
Cell c
6.2551
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb4Cd8Ge
Rb
4.00 · 30.8%
Cd
8.00 · 61.5%
Ge
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1217
eV/atom
Formation energy
0.0302
eV/atom
Corrected total energy
-15.4830
eV
Raw total energy
-15.4830
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1057
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_791_spg191

Decomposition

Rb3Cd16 Rb2Cd3 RbGe

Computed at

2025-06-15 13:17:36

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: agm098041005).

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 agm098041005
data_agm098041005
_cell_length_a     9.94101
_cell_length_b     9.94101
_cell_length_c     6.25510
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       535.33575
_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 0.00000 0.00000 1.00000
  Rb2 Rb 0.00000 0.50000 0.00000 1.00000
  Rb3 Rb 0.50000 0.00000 0.00000 1.00000
  Rb4 Rb 0.50000 0.50000 0.00000 1.00000
  Cd1 Cd 0.17003 0.34007 0.50000 1.00000
  Cd2 Cd 0.17003 0.82997 0.50000 1.00000
  Cd3 Cd 0.66667 0.33333 0.50000 1.00000
  Cd4 Cd 0.65993 0.82997 0.50000 1.00000
  Cd5 Cd 0.34007 0.17003 0.50000 1.00000
  Cd6 Cd 0.33333 0.66667 0.50000 1.00000
  Cd7 Cd 0.82997 0.17003 0.50000 1.00000
  Cd8 Cd 0.82997 0.65993 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.50000 1.00000
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