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SbRh2

Alexandria ALEX

Alex-ID: agm005428044 · Space group: C2/m (#12)

Basic Information

Formula
SbRh2
Alex-ID
agm005428044
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
100.84
ų
Cell a
5.5208
Å
Cell b
5.5208
Å
Cell c
6.6481
Å
α angle
68.80
°
β angle
68.80
°
γ angle
32.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SbRh2
Sb
2.00 · 33.3%
Rh
4.00 · 66.7%

Energy & Stability

Energy above hull
0.2232
eV/atom
Formation energy
-0.1469
eV/atom
Corrected total energy
-38.5322
eV
Raw total energy
-38.5321
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0209
eV
DOS at Fermi level
6.8207
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_103_spg12

Decomposition

SbRh2

Computed at

2023-03-21 18:46:14.476097

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: agm005428044).

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 agm005428044
data_agm005428044
_cell_length_a     5.52084
_cell_length_b     5.52084
_cell_length_c     6.64806
_cell_angle_alpha  68.79678
_cell_angle_beta   68.79678
_cell_angle_gamma  32.49666
_cell_volume       100.84314
_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 0.68050 0.68050 0.32424 1.00000
  Sb2 Sb 0.31950 0.31950 0.67576 1.00000
  Rh1 Rh 0.05489 0.05489 0.66952 1.00000
  Rh2 Rh 0.36499 0.36499 0.03494 1.00000
  Rh3 Rh 0.63501 0.63501 0.96506 1.00000
  Rh4 Rh 0.94511 0.94511 0.33048 1.00000
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