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Rb4Cd3Ge20

Alexandria ALEX

Alex-ID: agm090337779 · Space group: Pm-3n (#223)

Alexandria Database API

Basic Information

Formula
Rb4Cd3Ge20
Alex-ID
agm090337779
Elements
3
Sites
54
Space group
Pm-3n (#223)
Crystal system
cubic
Volume
1,385.30
ų
Cell a
11.1476
Å
Cell b
11.1476
Å
Cell c
11.1476
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb4Cd3Ge20
Rb
8.00 · 14.8%
Cd
6.00 · 11.1%
Ge
40.00 · 74.1%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.1071
eV/atom
Corrected total energy
-203.7604
eV
Raw total energy
-203.7604
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.1865
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C20_0_spg223

Decomposition

Rb4Cd3Ge20

Computed at

2025-03-15 06:56:29

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: agm090337779).

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 agm090337779
data_agm090337779
_cell_length_a     11.14760
_cell_length_b     11.14760
_cell_length_c     11.14760
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1385.30100
_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 0.25000 0.50000 1.00000
  Rb2 Rb 0.00000 0.75000 0.50000 1.00000
  Rb3 Rb 0.25000 0.50000 0.00000 1.00000
  Rb4 Rb 0.75000 0.50000 0.00000 1.00000
  Rb5 Rb 0.50000 0.00000 0.25000 1.00000
  Rb6 Rb 0.50000 0.00000 0.75000 1.00000
  Rb7 Rb 0.00000 0.00000 0.00000 1.00000
  Rb8 Rb 0.50000 0.50000 0.50000 1.00000
  Cd1 Cd 0.00000 0.50000 0.25000 1.00000
  Cd2 Cd 0.00000 0.50000 0.75000 1.00000
  Cd3 Cd 0.25000 0.00000 0.50000 1.00000
  Cd4 Cd 0.75000 0.00000 0.50000 1.00000
  Cd5 Cd 0.50000 0.25000 0.00000 1.00000
  Cd6 Cd 0.50000 0.75000 0.00000 1.00000
  Ge1 Ge 0.00000 0.30084 0.11297 1.00000
  Ge2 Ge 0.00000 0.69916 0.88703 1.00000
  Ge3 Ge 0.19916 0.50000 0.61297 1.00000
  Ge4 Ge 0.80084 0.50000 0.38703 1.00000
  Ge5 Ge 0.00000 0.69916 0.11297 1.00000
  Ge6 Ge 0.00000 0.30084 0.88703 1.00000
  Ge7 Ge 0.80084 0.50000 0.61297 1.00000
  Ge8 Ge 0.19916 0.50000 0.38703 1.00000
  Ge9 Ge 0.11297 0.00000 0.30084 1.00000
  Ge10 Ge 0.88703 0.00000 0.69916 1.00000
  Ge11 Ge 0.61297 0.19916 0.50000 1.00000
  Ge12 Ge 0.38703 0.80084 0.50000 1.00000
  Ge13 Ge 0.11297 0.00000 0.69916 1.00000
  Ge14 Ge 0.88703 0.00000 0.30084 1.00000
  Ge15 Ge 0.61297 0.80084 0.50000 1.00000
  Ge16 Ge 0.38703 0.19916 0.50000 1.00000
  Ge17 Ge 0.30084 0.11297 0.00000 1.00000
  Ge18 Ge 0.69916 0.88703 0.00000 1.00000
  Ge19 Ge 0.50000 0.61297 0.19916 1.00000
  Ge20 Ge 0.50000 0.38703 0.80084 1.00000
  Ge21 Ge 0.69916 0.11297 0.00000 1.00000
  Ge22 Ge 0.30084 0.88703 0.00000 1.00000
  Ge23 Ge 0.50000 0.61297 0.80084 1.00000
  Ge24 Ge 0.50000 0.38703 0.19916 1.00000
  Ge25 Ge 0.18293 0.18293 0.18293 1.00000
  Ge26 Ge 0.81707 0.81707 0.81707 1.00000
  Ge27 Ge 0.31707 0.68293 0.68293 1.00000
  Ge28 Ge 0.68293 0.31707 0.31707 1.00000
  Ge29 Ge 0.81707 0.81707 0.18293 1.00000
  Ge30 Ge 0.18293 0.18293 0.81707 1.00000
  Ge31 Ge 0.68293 0.31707 0.68293 1.00000
  Ge32 Ge 0.31707 0.68293 0.31707 1.00000
  Ge33 Ge 0.18293 0.81707 0.81707 1.00000
  Ge34 Ge 0.81707 0.18293 0.18293 1.00000
  Ge35 Ge 0.31707 0.31707 0.31707 1.00000
  Ge36 Ge 0.68293 0.68293 0.68293 1.00000
  Ge37 Ge 0.81707 0.18293 0.81707 1.00000
  Ge38 Ge 0.18293 0.81707 0.18293 1.00000
  Ge39 Ge 0.68293 0.68293 0.31707 1.00000
  Ge40 Ge 0.31707 0.31707 0.68293 1.00000
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