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Co(Sb4Rh)2

Alexandria ALEX

Alex-ID: agm006000381 · Space group: P-1 (#2)

Basic Information

Formula
Co(Sb4Rh)2
Alex-ID
agm006000381
Elements
3
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
281.68
ų
Cell a
5.3508
Å
Cell b
8.6468
Å
Cell c
7.7475
Å
α angle
128.20
°
β angle
90.48
°
γ angle
89.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co(Sb4Rh)2
Co
1.00 · 9.1%
Sb
8.00 · 72.7%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.2706
eV/atom
Formation energy
-0.0718
eV/atom
Corrected total energy
-55.5959
eV
Raw total energy
-55.5959
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9709
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1088_spg12

Decomposition

Sb2Rh CoSb3 Sb3Rh

Computed at

2023-09-26 13:49:43

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: agm006000381).

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 agm006000381
data_agm006000381
_cell_length_a     5.35079
_cell_length_b     8.64682
_cell_length_c     7.74753
_cell_angle_alpha  128.19670
_cell_angle_beta   90.48489
_cell_angle_gamma  89.18844
_cell_volume       281.68068
_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
  Co1 Co 1.00000 0.00000 0.99999 1.00000
  Sb1 Sb 0.25116 0.58516 0.18907 1.00000
  Sb2 Sb 0.74884 0.41484 0.81089 1.00000
  Sb3 Sb 0.72955 0.85954 0.13930 1.00000
  Sb4 Sb 0.29631 0.15058 0.31787 1.00000
  Sb5 Sb 0.28863 0.70397 0.80908 1.00000
  Sb6 Sb 0.27045 0.14046 0.86069 1.00000
  Sb7 Sb 0.70369 0.84942 0.68212 1.00000
  Sb8 Sb 0.71137 0.29603 0.19090 1.00000
  Rh1 Rh 0.24060 0.36608 0.73737 1.00000
  Rh2 Rh 0.75941 0.63392 0.26261 1.00000
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