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Sb2Rh

Alexandria ALEX

Alex-ID: agm005483216 · Space group: C2/m (#12)

Basic Information

Formula
Sb2Rh
Alex-ID
agm005483216
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
131.19
ų
Cell a
5.7053
Å
Cell b
5.7053
Å
Cell c
7.6079
Å
α angle
56.47
°
β angle
56.47
°
γ angle
41.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sb2Rh
Sb
4.00 · 66.7%
Rh
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2255
eV/atom
Formation energy
-0.2442
eV/atom
Corrected total energy
-32.6574
eV
Raw total energy
-32.6574
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0223
eV
DOS at Fermi level
3.2360
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_1924_spg8

Decomposition

Sb2Rh

Computed at

2023-03-21 18:55:31.282874

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: agm005483216).

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 agm005483216
data_agm005483216
_cell_length_a     5.70531
_cell_length_b     5.70531
_cell_length_c     7.60790
_cell_angle_alpha  56.46576
_cell_angle_beta   56.46576
_cell_angle_gamma  40.99568
_cell_volume       131.19191
_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 0.84442 0.84442 0.53880 1.00000
  Sb2 Sb 0.59766 0.59766 0.11155 1.00000
  Sb3 Sb 0.40234 0.40234 0.88845 1.00000
  Sb4 Sb 0.15558 0.15558 0.46120 1.00000
  Rh1 Rh 0.17418 0.17418 0.82084 1.00000
  Rh2 Rh 0.82582 0.82582 0.17916 1.00000
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