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Sb8Pt2Rh

Alexandria ALEX

Alex-ID: agm005995968 · Space group: C2/m (#12)

Basic Information

Formula
Sb8Pt2Rh
Alex-ID
agm005995968
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
303.45
ų
Cell a
4.9561
Å
Cell b
8.4963
Å
Cell c
8.5003
Å
α angle
119.99
°
β angle
100.20
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sb8Pt2Rh
Sb
8.00 · 72.7%
Pt
2.00 · 18.2%
Rh
1.00 · 9.1%

Energy & Stability

Energy above hull
0.3501
eV/atom
Formation energy
-0.0578
eV/atom
Corrected total energy
-53.1419
eV
Raw total energy
-53.1419
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.0561
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1265_spg12

Decomposition

Sb3Rh Sb2Pt Sb

Computed at

2023-09-29 20:56:52

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: agm005995968).

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 agm005995968
data_agm005995968
_cell_length_a     4.95609
_cell_length_b     8.49635
_cell_length_c     8.50025
_cell_angle_alpha  119.99102
_cell_angle_beta   100.20266
_cell_angle_gamma  90.00685
_cell_volume       303.45096
_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 0.14123 0.59871 0.19677 1.00000
  Sb2 Sb 0.85877 0.40129 0.80320 1.00000
  Sb3 Sb 0.72296 0.86659 0.16713 1.00000
  Sb4 Sb 0.35886 0.16006 0.32009 1.00000
  Sb5 Sb 0.27671 0.69931 0.83263 1.00000
  Sb6 Sb 0.27703 0.13341 0.83286 1.00000
  Sb7 Sb 0.64113 0.83993 0.67990 1.00000
  Sb8 Sb 0.72328 0.30069 0.16735 1.00000
  Pt1 Pt 0.31623 0.33218 0.66430 1.00000
  Pt2 Pt 0.68379 0.66782 0.33569 1.00000
  Rh1 Rh 1.00000 0.00000 0.99999 1.00000
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