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SrGa3Pt2

Alexandria ALEX

Alex-ID: agm005669558 · Space group: C2/m (#12)

Basic Information

Formula
SrGa3Pt2
Alex-ID
agm005669558
Elements
3
Sites
18
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
354.85
ų
Cell a
4.2478
Å
Cell b
8.6638
Å
Cell c
10.4344
Å
α angle
107.05
°
β angle
90.00
°
γ angle
104.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrGa3Pt2
Sr
3.00 · 16.7%
Ga
9.00 · 50.0%
Pt
6.00 · 33.3%

Energy & Stability

Energy above hull
0.0492
eV/atom
Formation energy
-0.7249
eV/atom
Corrected total energy
-81.9088
eV
Raw total energy
-81.9088
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4464
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_326_spg12

Decomposition

Sr2Ga5Pt3 Sr4Ga13Pt9

Computed at

2023-08-18 00:41:10.752559

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: agm005669558).

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 agm005669558
data_agm005669558
_cell_length_a     4.24781
_cell_length_b     8.66382
_cell_length_c     10.43441
_cell_angle_alpha  107.05204
_cell_angle_beta   89.99999
_cell_angle_gamma  104.19047
_cell_volume       354.85339
_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 0.15872 0.31743 0.70622 1.00000
  Sr2 Sr 0.84128 0.68257 0.29378 1.00000
  Sr3 Sr 0.00000 0.00000 0.00000 1.00000
  Ga1 Ga 0.04247 0.08495 0.36055 1.00000
  Ga2 Ga 0.95753 0.91505 0.63945 1.00000
  Ga3 Ga 0.21626 0.43252 0.38848 1.00000
  Ga4 Ga 0.78374 0.56748 0.61152 1.00000
  Ga5 Ga 0.62943 0.25887 0.19665 1.00000
  Ga6 Ga 0.37057 0.74113 0.80335 1.00000
  Ga7 Ga 0.50000 0.00000 0.50000 1.00000
  Ga8 Ga 0.33347 0.66693 0.04239 1.00000
  Ga9 Ga 0.66653 0.33307 0.95761 1.00000
  Pt1 Pt 0.19855 0.39710 0.12250 1.00000
  Pt2 Pt 0.80145 0.60290 0.87750 1.00000
  Pt3 Pt 0.47733 0.95467 0.22474 1.00000
  Pt4 Pt 0.52267 0.04533 0.77526 1.00000
  Pt5 Pt 0.36017 0.72035 0.55467 1.00000
  Pt6 Pt 0.63983 0.27965 0.44533 1.00000
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