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RbSnSb

Alexandria ALEX

Alex-ID: agm070189939 · Space group: Pnma (#62)

Basic Information

Formula
RbSnSb
Alex-ID
agm070189939
Elements
3
Sites
12
Space group
Pnma (#62)
Crystal system
orthorhombic
Volume
479.13
ų
Cell a
4.5577
Å
Cell b
8.6796
Å
Cell c
12.1115
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbSnSb
Rb
4.00 · 33.3%
Sn
4.00 · 33.3%
Sb
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0359
eV/atom
Formation energy
-0.3007
eV/atom
Corrected total energy
-39.9791
eV
Raw total energy
-39.9791
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.3593
eV
DOS at Fermi level
1.5436
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_12810_spg14

Decomposition

RbSnSb

Computed at

2025-01-16 01:43:41

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: agm070189939).

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 agm070189939
data_agm070189939
_cell_length_a     4.55773
_cell_length_b     8.67962
_cell_length_c     12.11155
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       479.12535
_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 0.02848 0.30823 1.00000
  Rb2 Rb 0.25000 0.47152 0.80823 1.00000
  Rb3 Rb 0.75000 0.52848 0.19177 1.00000
  Rb4 Rb 0.25000 0.97152 0.69177 1.00000
  Sn1 Sn 0.25000 0.35799 0.43215 1.00000
  Sn2 Sn 0.25000 0.85799 0.06785 1.00000
  Sn3 Sn 0.75000 0.64201 0.56785 1.00000
  Sn4 Sn 0.75000 0.14201 0.93215 1.00000
  Sb1 Sb 0.25000 0.20816 0.08324 1.00000
  Sb2 Sb 0.25000 0.70816 0.41676 1.00000
  Sb3 Sb 0.75000 0.29184 0.58324 1.00000
  Sb4 Sb 0.75000 0.79184 0.91676 1.00000
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