Navigation

HEAS Data Platform · Materials Science Database

Rb3(InSb2)2

Alexandria ALEX

Alex-ID: agm003339643 · Space group: C2/m (#12)

Basic Information

Formula
Rb3(InSb2)2
Alex-ID
agm003339643
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
348.03
ų
Cell a
4.9397
Å
Cell b
7.8239
Å
Cell c
9.8935
Å
α angle
105.55
°
β angle
90.00
°
γ angle
108.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3(InSb2)2
Rb
3.00 · 33.3%
In
2.00 · 22.2%
Sb
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0469
eV/atom
Formation energy
-0.3189
eV/atom
Corrected total energy
-27.8012
eV
Raw total energy
-27.8012
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.1801
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_324_spg12

Decomposition

Rb2In2Sb3 RbSb

Computed at

2022-01-30 01:53:18.250394

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: agm003339643).

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 agm003339643
data_agm003339643
_cell_length_a     4.93971
_cell_length_b     7.82386
_cell_length_c     9.89353
_cell_angle_alpha  105.54966
_cell_angle_beta   90.00000
_cell_angle_gamma  108.40200
_cell_volume       348.02890
_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 0.59326 0.18652 0.67824 1.00000
  Rb2 Rb 0.00000 0.00000 0.00000 1.00000
  Rb3 Rb 0.40674 0.81348 0.32176 1.00000
  In1 In 0.71567 0.43135 0.34528 1.00000
  In2 In 0.28433 0.56865 0.65472 1.00000
  Sb1 Sb 0.70986 0.41973 0.04148 1.00000
  Sb2 Sb 0.29014 0.58027 0.95852 1.00000
  Sb3 Sb 0.87968 0.75935 0.60435 1.00000
  Sb4 Sb 0.12032 0.24065 0.39565 1.00000
Get direct link