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Sb3Pt2

Alexandria ALEX

Alex-ID: agm005407974 · Space group: R-3m (#166)

Basic Information

Formula
Sb3Pt2
Alex-ID
agm005407974
Elements
2
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
116.16
ų
Cell a
8.6281
Å
Cell b
8.6281
Å
Cell c
8.6281
Å
α angle
26.93
°
β angle
26.93
°
γ angle
26.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sb3Pt2
Sb
3.00 · 60.0%
Pt
2.00 · 40.0%

Energy & Stability

Energy above hull
0.1633
eV/atom
Formation energy
-0.2854
eV/atom
Corrected total energy
-25.9700
eV
Raw total energy
-25.9700
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.9482
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_11_spg166

Decomposition

SbPt Sb2Pt

Computed at

2023-03-19 11:25:52.114242

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: agm005407974).

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 agm005407974
data_agm005407974
_cell_length_a     8.62805
_cell_length_b     8.62805
_cell_length_c     8.62805
_cell_angle_alpha  26.92569
_cell_angle_beta   26.92569
_cell_angle_gamma  26.92569
_cell_volume       116.16108
_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 0.00000 0.00000 0.00000 1.00000
  Sb2 Sb 0.78484 0.78484 0.78484 1.00000
  Sb3 Sb 0.21516 0.21516 0.21516 1.00000
  Pt1 Pt 0.39637 0.39637 0.39637 1.00000
  Pt2 Pt 0.60363 0.60363 0.60363 1.00000
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