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RbGe2Au5

Alexandria ALEX

Alex-ID: agm003480180 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
RbGe2Au5
Alex-ID
agm003480180
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
178.89
ų
Cell a
4.6452
Å
Cell b
6.8295
Å
Cell c
6.8295
Å
α angle
64.38
°
β angle
70.12
°
γ angle
70.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbGe2Au5
Rb
1.00 · 12.5%
Ge
2.00 · 25.0%
Au
5.00 · 62.5%

Energy & Stability

Energy above hull
0.0661
eV/atom
Formation energy
-0.0989
eV/atom
Corrected total energy
-27.3804
eV
Raw total energy
-27.3804
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0065
eV
DOS at Fermi level
1.7856
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_53_spg71

Decomposition

RbGe2Au3 Au

Computed at

2022-02-20 17:06:16.075706

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: agm003480180).

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 agm003480180
data_agm003480180
_cell_length_a     4.64523
_cell_length_b     6.82946
_cell_length_c     6.82946
_cell_angle_alpha  64.37684
_cell_angle_beta   70.11778
_cell_angle_gamma  70.11778
_cell_volume       178.88660
_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
  Ge1 Ge 0.75898 0.74102 0.74102 1.00000
  Ge2 Ge 0.24102 0.25898 0.25898 1.00000
  Au1 Au 0.00000 0.50000 0.50000 1.00000
  Au2 Au 0.64623 0.54575 0.16180 1.00000
  Au3 Au 0.35377 0.45425 0.83820 1.00000
  Au4 Au 0.35377 0.83820 0.45425 1.00000
  Au5 Au 0.64623 0.16180 0.54575 1.00000
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