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Sr4Pt

Alexandria ALEX

Alex-ID: agm005233189 · Space group: Fd-3m (#227)

Basic Information

Formula
Sr4Pt
Alex-ID
agm005233189
Elements
2
Sites
10
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
496.50
ų
Cell a
8.8881
Å
Cell b
8.8881
Å
Cell c
8.8881
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Pt
Sr
8.00 · 80.0%
Pt
2.00 · 20.0%

Energy & Stability

Energy above hull
0.3013
eV/atom
Formation energy
-0.1565
eV/atom
Corrected total energy
-27.2573
eV
Raw total energy
-27.2573
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.3444
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_270_spg227

Decomposition

Sr4Pt

Computed at

2023-04-21 09:46:39.076561

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: agm005233189).

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 agm005233189
data_agm005233189
_cell_length_a     8.88813
_cell_length_b     8.88813
_cell_length_c     8.88813
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       496.49708
_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
  Sr1 Sr 0.86964 0.86964 0.86964 1.00000
  Sr2 Sr 0.86964 0.39109 0.86964 1.00000
  Sr3 Sr 0.86964 0.86964 0.39109 1.00000
  Sr4 Sr 0.38036 0.85891 0.38036 1.00000
  Sr5 Sr 0.38036 0.38036 0.38036 1.00000
  Sr6 Sr 0.39109 0.86964 0.86964 1.00000
  Sr7 Sr 0.38036 0.38036 0.85891 1.00000
  Sr8 Sr 0.85891 0.38036 0.38036 1.00000
  Pt1 Pt 0.25000 0.25000 0.25000 1.00000
  Pt2 Pt 0.00000 0.00000 0.00000 1.00000
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