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Rb2SbCl4

Alexandria ALEX

Alex-ID: agm096554301 · Space group: P-1 (#2)

Basic Information

Formula
Rb2SbCl4
Alex-ID
agm096554301
Elements
3
Sites
7
Space group
P-1 (#2)
Crystal system
triclinic
Volume
293.51
ų
Cell a
4.9205
Å
Cell b
7.7964
Å
Cell c
7.7465
Å
α angle
89.06
°
β angle
90.52
°
γ angle
81.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2SbCl4
Rb
2.00 · 28.6%
Sb
1.00 · 14.3%
Cl
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1408
eV/atom
Formation energy
-1.6859
eV/atom
Corrected total energy
-22.8741
eV
Raw total energy
-22.8741
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.2267
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_114_spg123

Decomposition

Rb3SbCl6 Sb

Computed at

2025-04-10 16:00:09

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: agm096554301).

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 agm096554301
data_agm096554301
_cell_length_a     4.92046
_cell_length_b     7.79642
_cell_length_c     7.74650
_cell_angle_alpha  89.06302
_cell_angle_beta   90.52451
_cell_angle_gamma  81.07012
_cell_volume       293.50925
_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 0.99980 0.92845 0.00066 1.00000
  Rb2 Rb 0.50036 0.42868 0.49988 1.00000
  Sb1 Sb 0.99987 0.42852 0.99982 1.00000
  Cl1 Cl 0.56258 0.63580 0.12055 1.00000
  Cl2 Cl 0.95907 0.62549 0.70920 1.00000
  Cl3 Cl 0.04177 0.23181 0.29093 1.00000
  Cl4 Cl 0.43656 0.22125 0.87896 1.00000
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