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Rb2AlGeAu6

Alexandria ALEX

Alex-ID: agm004921920 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Rb2AlGeAu6
Alex-ID
agm004921920
Elements
4
Sites
10
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
263.83
ų
Cell a
7.2183
Å
Cell b
7.2191
Å
Cell c
7.1587
Å
α angle
60.40
°
β angle
60.41
°
γ angle
91.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2AlGeAu6
Rb
2.00 · 20.0%
Al
1.00 · 10.0%
Ge
1.00 · 10.0%
Au
6.00 · 60.0%

Energy & Stability

Energy above hull
0.1017
eV/atom
Formation energy
-0.2214
eV/atom
Corrected total energy
-32.1764
eV
Raw total energy
-32.1764
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5601
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D6_1_spg225

Decomposition

Al3Au8 Rb4Ge2Au7 AlAu2

Computed at

2022-07-17 17:22:09.657803

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: agm004921920).

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 agm004921920
data_agm004921920
_cell_length_a     7.21827
_cell_length_b     7.21915
_cell_length_c     7.15866
_cell_angle_alpha  60.39554
_cell_angle_beta   60.40760
_cell_angle_gamma  91.33068
_cell_volume       263.83419
_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 0.70373 0.29564 0.50032 1.00000
  Rb2 Rb 0.29628 0.70437 0.49968 1.00000
  Al1 Al 1.00000 1.00000 0.00000 1.00000
  Ge1 Ge 0.50000 0.50000 0.00000 1.00000
  Au1 Au 0.19567 0.19605 0.50375 1.00000
  Au2 Au 0.80389 0.80341 0.89696 1.00000
  Au3 Au 0.24668 0.75230 0.00045 1.00000
  Au4 Au 0.75332 0.24770 0.99955 1.00000
  Au5 Au 0.19611 0.19659 0.10305 1.00000
  Au6 Au 0.80433 0.80395 0.49625 1.00000
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