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Rb(Cd2Ge)2

Alexandria ALEX

Alex-ID: agm003461233 · Space group: Cmmm (#65)

Basic Information

Formula
Rb(Cd2Ge)2
Alex-ID
agm003461233
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
174.49
ų
Cell a
4.6628
Å
Cell b
4.6533
Å
Cell c
8.3717
Å
α angle
106.14
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(Cd2Ge)2
Rb
1.00 · 14.3%
Cd
4.00 · 57.1%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0626
eV/atom
Formation energy
-0.0273
eV/atom
Corrected total energy
-14.0876
eV
Raw total energy
-14.0876
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4523
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_971_spg65

Decomposition

RbCd11 Rb4Cd3Ge20 RbGe

Computed at

2022-02-17 14:45:24.439072

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: agm003461233).

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 agm003461233
data_agm003461233
_cell_length_a     4.66275
_cell_length_b     4.65326
_cell_length_c     8.37170
_cell_angle_alpha  106.13586
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       174.48502
_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
  Cd1 Cd 0.50000 0.81917 0.63834 1.00000
  Cd2 Cd 0.00000 0.68509 0.37018 1.00000
  Cd3 Cd 0.50000 0.18083 0.36166 1.00000
  Cd4 Cd 0.00000 0.31491 0.62982 1.00000
  Ge1 Ge 0.50000 0.58329 0.16657 1.00000
  Ge2 Ge 0.50000 0.41671 0.83343 1.00000
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