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Rb2Al3Ge2

Alexandria ALEX

Alex-ID: agm009771018 · Space group: C2/m (#12)

Basic Information

Formula
Rb2Al3Ge2
Alex-ID
agm009771018
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
199.10
ų
Cell a
7.2569
Å
Cell b
7.2569
Å
Cell c
8.4778
Å
α angle
55.13
°
β angle
55.13
°
γ angle
33.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2Al3Ge2
Rb
2.00 · 28.6%
Al
3.00 · 42.9%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2063
eV/atom
Formation energy
0.0585
eV/atom
Corrected total energy
-21.9968
eV
Raw total energy
-21.9968
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.1749
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_95_spg12

Decomposition

RbAlGe Al

Computed at

2024-03-22 03:59:30.328438

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: agm009771018).

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 agm009771018
data_agm009771018
_cell_length_a     7.25691
_cell_length_b     7.25691
_cell_length_c     8.47784
_cell_angle_alpha  55.12908
_cell_angle_beta   55.12908
_cell_angle_gamma  33.78909
_cell_volume       199.09773
_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 0.12037 0.12037 0.73859 1.00000
  Rb2 Rb 0.87963 0.87963 0.26141 1.00000
  Al1 Al 0.50000 0.50000 0.50000 1.00000
  Al2 Al 0.34243 0.34243 0.90923 1.00000
  Al3 Al 0.65757 0.65757 0.09077 1.00000
  Ge1 Ge 0.15932 0.15932 0.28175 1.00000
  Ge2 Ge 0.84068 0.84068 0.71825 1.00000
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