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Sb4Rh5

Alexandria ALEX

Alex-ID: agm005505037 · Space group: I4/mmm (#139)

Basic Information

Formula
Sb4Rh5
Alex-ID
agm005505037
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
164.89
ų
Cell a
6.7595
Å
Cell b
6.7595
Å
Cell c
6.7595
Å
α angle
94.88
°
β angle
94.88
°
γ angle
146.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sb4Rh5
Sb
4.00 · 44.4%
Rh
5.00 · 55.6%

Energy & Stability

Energy above hull
0.2547
eV/atom
Formation energy
-0.2051
eV/atom
Corrected total energy
-55.0928
eV
Raw total energy
-55.0928
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.7099
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_4_spg139

Decomposition

SbRh2 SbRh

Computed at

2023-03-19 14:48:58.304911

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: agm005505037).

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 agm005505037
data_agm005505037
_cell_length_a     6.75954
_cell_length_b     6.75954
_cell_length_c     6.75954
_cell_angle_alpha  94.88409
_cell_angle_beta   94.88409
_cell_angle_gamma  146.06994
_cell_volume       164.89331
_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
  Sb1 Sb 0.70728 0.00000 0.70728 1.00000
  Sb2 Sb 0.29272 0.00000 0.29272 1.00000
  Sb3 Sb 0.00000 0.29272 0.29272 1.00000
  Sb4 Sb 0.00000 0.70728 0.70728 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.66290 0.33710 0.00000 1.00000
  Rh3 Rh 0.33710 0.66290 0.00000 1.00000
  Rh4 Rh 0.33710 0.33710 0.67420 1.00000
  Rh5 Rh 0.66290 0.66290 0.32580 1.00000
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