Navigation

HEAS Data Platform · Materials Science Database

Rb2GeSb

Alexandria ALEX

Alex-ID: agm005805397 · Space group: Cmcm (#63)

Basic Information

Formula
Rb2GeSb
Alex-ID
agm005805397
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
303.20
ų
Cell a
5.9629
Å
Cell b
7.2166
Å
Cell c
7.2166
Å
α angle
102.49
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2GeSb
Rb
4.00 · 50.0%
Ge
2.00 · 25.0%
Sb
2.00 · 25.0%

Energy & Stability

Energy above hull
0.2316
eV/atom
Formation energy
-0.0834
eV/atom
Corrected total energy
-22.0173
eV
Raw total energy
-22.0173
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
7.8305
Total magnetisation
0.0008
μB

Additional Information

Prototype ID

ABC2_46_spg63

Decomposition

Rb5Sb4 Rb4Ge23 RbGe

Computed at

2023-07-12 02:57:59.800821

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: agm005805397).

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 agm005805397
data_agm005805397
_cell_length_a     5.96289
_cell_length_b     7.21664
_cell_length_c     7.21664
_cell_angle_alpha  102.48941
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       303.19790
_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 0.75000 0.02867 0.67003 1.00000
  Rb2 Rb 0.25000 0.97133 0.32997 1.00000
  Rb3 Rb 0.25000 0.32997 0.97133 1.00000
  Rb4 Rb 0.75000 0.67003 0.02867 1.00000
  Ge1 Ge 0.00000 0.50000 0.50000 1.00000
  Ge2 Ge 0.50000 0.50000 0.50000 1.00000
  Sb1 Sb 0.75000 0.20956 0.20956 1.00000
  Sb2 Sb 0.25000 0.79044 0.79044 1.00000
Get direct link