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RbSb2Au

Alexandria ALEX

Alex-ID: agm102498745 · Space group: Pmma (#51)

Alexandria Database API

Basic Information

Formula
RbSb2Au
Alex-ID
agm102498745
Elements
3
Sites
8
Space group
Pmma (#51)
Crystal system
orthorhombic
Volume
283.39
ų
Cell a
4.3161
Å
Cell b
9.1410
Å
Cell c
7.1831
Å
α angle
90.00
°
β angle
89.65
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbSb2Au
Rb
2.00 · 25.0%
Sb
4.00 · 50.0%
Au
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0057
eV/atom
Formation energy
-0.3150
eV/atom
Corrected total energy
-27.4998
eV
Raw total energy
-27.4998
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0525
eV
DOS at Fermi level
2.3043
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_416_spg31

Decomposition

RbSb2Au

Computed at

2025-07-01 09:12:54

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: agm102498745).

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 agm102498745
data_agm102498745
_cell_length_a     4.31610
_cell_length_b     9.14103
_cell_length_c     7.18310
_cell_angle_alpha  90.00000
_cell_angle_beta   89.65304
_cell_angle_gamma  90.00000
_cell_volume       283.39390
_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 0.99624 0.25000 0.34094 1.00000
  Rb2 Rb 0.00376 0.75000 0.65906 1.00000
  Sb1 Sb 0.50212 0.06380 0.81664 1.00000
  Sb2 Sb 0.49788 0.93620 0.18336 1.00000
  Sb3 Sb 0.49788 0.56380 0.18336 1.00000
  Sb4 Sb 0.50212 0.43620 0.81664 1.00000
  Au1 Au 0.99799 0.75000 0.16221 1.00000
  Au2 Au 0.00201 0.25000 0.83779 1.00000
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