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Rb3Sb3Pb8

Alexandria ALEX

Alex-ID: agm003376588 · Space group: Immm (#71)

Basic Information

Formula
Rb3Sb3Pb8
Alex-ID
agm003376588
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
505.63
ų
Cell a
5.2483
Å
Cell b
10.2008
Å
Cell c
10.2008
Å
α angle
79.17
°
β angle
75.09
°
γ angle
75.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3Sb3Pb8
Rb
3.00 · 21.4%
Sb
3.00 · 21.4%
Pb
8.00 · 57.1%

Energy & Stability

Energy above hull
0.1259
eV/atom
Formation energy
-0.0754
eV/atom
Corrected total energy
-45.9918
eV
Raw total energy
-45.9918
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0038
eV
DOS at Fermi level
4.9139
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_24_spg71

Decomposition

RbSbPb Pb

Computed at

2022-02-10 09:48:35.438878

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: agm003376588).

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 agm003376588
data_agm003376588
_cell_length_a     5.24831
_cell_length_b     10.20083
_cell_length_c     10.20083
_cell_angle_alpha  79.16895
_cell_angle_beta   75.09309
_cell_angle_gamma  75.09309
_cell_volume       505.63030
_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 0.50000 0.50000 0.50000 1.00000
  Rb2 Rb 0.78906 0.21094 0.21094 1.00000
  Rb3 Rb 0.21094 0.78906 0.78906 1.00000
  Sb1 Sb 0.50000 0.00000 0.00000 1.00000
  Sb2 Sb 0.00000 0.84192 0.15808 1.00000
  Sb3 Sb 0.00000 0.15808 0.84192 1.00000
  Pb1 Pb 0.65734 0.05310 0.63222 1.00000
  Pb2 Pb 0.34266 0.94690 0.36778 1.00000
  Pb3 Pb 0.65734 0.63222 0.05310 1.00000
  Pb4 Pb 0.34266 0.36778 0.94690 1.00000
  Pb5 Pb 0.87753 0.77185 0.47308 1.00000
  Pb6 Pb 0.12247 0.22815 0.52692 1.00000
  Pb7 Pb 0.87753 0.47308 0.77185 1.00000
  Pb8 Pb 0.12247 0.52692 0.22815 1.00000
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