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Ga(Sn2Pt)2

Alexandria ALEX

Alex-ID: agm096704375 · Space group: P2/m (#10)

Basic Information

Formula
Ga(Sn2Pt)2
Alex-ID
agm096704375
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
167.10
ų
Cell a
5.1820
Å
Cell b
4.3875
Å
Cell c
7.3514
Å
α angle
90.00
°
β angle
88.80
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga(Sn2Pt)2
Ga
1.00 · 14.3%
Sn
4.00 · 57.1%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1124
eV/atom
Formation energy
-0.3006
eV/atom
Corrected total energy
-33.3208
eV
Raw total energy
-33.3208
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3685
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

GaSnPt Sn4Pt Sn2Pt

Computed at

2025-04-10 18:44:50

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: agm096704375).

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 agm096704375
data_agm096704375
_cell_length_a     5.18204
_cell_length_b     4.38746
_cell_length_c     7.35136
_cell_angle_alpha  90.00000
_cell_angle_beta   88.80334
_cell_angle_gamma  90.00000
_cell_volume       167.10390
_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
  Ga1 Ga 0.50000 0.00109 0.50000 1.00000
  Sn1 Sn 0.21784 0.50070 0.67181 1.00000
  Sn2 Sn 0.25270 0.99971 0.13544 1.00000
  Sn3 Sn 0.74730 0.99971 0.86456 1.00000
  Sn4 Sn 0.78216 0.50070 0.32819 1.00000
  Pt1 Pt 0.00000 0.00057 0.50000 1.00000
  Pt2 Pt 0.00000 0.49964 0.00000 1.00000
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