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Sr4Ga3Pt

Alexandria ALEX

Alex-ID: agm006103271 · Space group: Pmm2 (#25)

Basic Information

Formula
Sr4Ga3Pt
Alex-ID
agm006103271
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
243.62
ų
Cell a
4.7360
Å
Cell b
4.4483
Å
Cell c
11.5638
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Ga3Pt
Sr
4.00 · 50.0%
Pt
1.00 · 12.5%
Ga
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0112
eV/atom
Formation energy
-0.5351
eV/atom
Corrected total energy
-26.2147
eV
Raw total energy
-26.2147
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5207
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_77_spg25

Decomposition

Sr8Ga7 Sr7Pt3 SrGa2

Computed at

2023-09-25 00:18:52.521651

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: agm006103271).

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 agm006103271
data_agm006103271
_cell_length_a     4.73603
_cell_length_b     4.44832
_cell_length_c     11.56376
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       243.61808
_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 0.50000 0.50000 0.34924 1.00000
  Sr2 Sr 0.00000 0.50000 0.86375 1.00000
  Sr3 Sr 0.00000 0.00000 0.14330 1.00000
  Sr4 Sr 0.50000 0.00000 0.64169 1.00000
  Pt1 Pt 0.50000 0.50000 0.05637 1.00000
  Ga1 Ga 0.00000 0.50000 0.55986 1.00000
  Ga2 Ga 0.00000 0.00000 0.43763 1.00000
  Ga3 Ga 0.50000 0.00000 0.94816 1.00000
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