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Rb8SbAu2

Alexandria ALEX

Alex-ID: agm003535802 · Space group: C2/m (#12)

Basic Information

Formula
Rb8SbAu2
Alex-ID
agm003535802
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
564.86
ų
Cell a
6.6778
Å
Cell b
9.6704
Å
Cell c
9.6704
Å
α angle
110.76
°
β angle
98.29
°
γ angle
98.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb8SbAu2
Rb
8.00 · 72.7%
Sb
1.00 · 9.1%
Au
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0656
eV/atom
Formation energy
-0.1841
eV/atom
Corrected total energy
-20.4430
eV
Raw total energy
-20.4430
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.7642
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB2C8_133_spg12

Decomposition

Rb5Sb2Au Rb5Au3 Rb

Computed at

2022-03-17 07:25:34.266745

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: agm003535802).

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 agm003535802
data_agm003535802
_cell_length_a     6.67784
_cell_length_b     9.67043
_cell_length_c     9.67043
_cell_angle_alpha  110.75545
_cell_angle_beta   98.28692
_cell_angle_gamma  98.28692
_cell_volume       564.86284
_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 0.91816 0.94142 0.68914 1.00000
  Rb2 Rb 0.91816 0.68914 0.94142 1.00000
  Rb3 Rb 0.31199 0.64190 0.64190 1.00000
  Rb4 Rb 0.50000 0.76543 0.23457 1.00000
  Rb5 Rb 0.50000 0.23457 0.76543 1.00000
  Rb6 Rb 0.68801 0.35810 0.35810 1.00000
  Rb7 Rb 0.08184 0.31086 0.05858 1.00000
  Rb8 Rb 0.08184 0.05858 0.31086 1.00000
  Sb1 Sb 0.50000 0.00000 0.00000 1.00000
  Au1 Au 0.00000 0.31659 0.68341 1.00000
  Au2 Au 0.00000 0.68341 0.31659 1.00000
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