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SbPt2

Alexandria ALEX

Alex-ID: agm003198535 · Space group: Cmc2_1 (#36)

Basic Information

Formula
SbPt2
Alex-ID
agm003198535
Elements
2
Sites
6
Space group
Cmc2_1 (#36)
Crystal system
orthorhombic
Volume
112.74
ų
Cell a
5.8555
Å
Cell b
5.8555
Å
Cell c
5.4082
Å
α angle
89.99
°
β angle
89.99
°
γ angle
37.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SbPt2
Pt
4.00 · 66.7%
Sb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0422
eV/atom
Formation energy
-0.2518
eV/atom
Corrected total energy
-34.1075
eV
Raw total energy
-34.1075
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
3.7451
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_7_spg36

Decomposition

Sb2Pt3 Pt

Computed at

2021-12-03 04:49:55.826086

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: agm003198535).

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 agm003198535
data_agm003198535
_cell_length_a     5.85554
_cell_length_b     5.85554
_cell_length_c     5.40820
_cell_angle_alpha  89.99128
_cell_angle_beta   89.99128
_cell_angle_gamma  37.44464
_cell_volume       112.74212
_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
  Pt1 Pt 0.00401 0.00401 0.93698 1.00000
  Pt2 Pt 0.27376 0.27376 0.43709 1.00000
  Pt3 Pt 0.66654 0.66654 0.77652 1.00000
  Pt4 Pt 0.61126 0.61126 0.27652 1.00000
  Sb1 Sb 0.95394 0.95394 0.45304 1.00000
  Sb2 Sb 0.32382 0.32382 0.95317 1.00000
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