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SbPt4Pb

Alexandria ALEX

Alex-ID: agm005460018 · Space group: F-43m (#216)

Basic Information

Formula
SbPt4Pb
Alex-ID
agm005460018
Elements
3
Sites
6
Space group
F-43m (#216)
Crystal system
cubic
Volume
115.07
ų
Cell a
5.4596
Å
Cell b
5.4596
Å
Cell c
5.4596
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SbPt4Pb
Sb
1.00 · 16.7%
Pt
4.00 · 66.7%
Pb
1.00 · 16.7%

Energy & Stability

Energy above hull
0.1815
eV/atom
Formation energy
-0.0471
eV/atom
Corrected total energy
-32.4656
eV
Raw total energy
-32.4656
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5396
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

Sb2Pt3 SbPt3Pb2 Pt

Computed at

2023-03-21 19:33:14.084625

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: agm005460018).

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 agm005460018
data_agm005460018
_cell_length_a     5.45962
_cell_length_b     5.45962
_cell_length_c     5.45962
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       115.07258
_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 0.75000 0.75000 0.75000 1.00000
  Pt1 Pt 0.87393 0.37536 0.37536 1.00000
  Pt2 Pt 0.37536 0.37536 0.87393 1.00000
  Pt3 Pt 0.37536 0.87393 0.37536 1.00000
  Pt4 Pt 0.37536 0.37536 0.37536 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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