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Ga3(AgSn)2

Alexandria ALEX

Alex-ID: agm009651293 · Space group: C2/m (#12)

Basic Information

Formula
Ga3(AgSn)2
Alex-ID
agm009651293
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
149.31
ų
Cell a
5.7862
Å
Cell b
5.7862
Å
Cell c
9.0395
Å
α angle
67.98
°
β angle
67.98
°
γ angle
32.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga3(AgSn)2
Ga
3.00 · 42.9%
Ag
2.00 · 28.6%
Sn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1080
eV/atom
Formation energy
0.0662
eV/atom
Corrected total energy
-22.3330
eV
Raw total energy
-22.3330
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4886
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_584_spg12

Decomposition

Ga4Ag3 Ga Sn

Computed at

2024-03-25 17:22:28.716617

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: agm009651293).

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 agm009651293
data_agm009651293
_cell_length_a     5.78623
_cell_length_b     5.78623
_cell_length_c     9.03946
_cell_angle_alpha  67.97793
_cell_angle_beta   67.97793
_cell_angle_gamma  32.40516
_cell_volume       149.31276
_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 0.43307 0.43307 0.77126 1.00000
  Ga2 Ga 0.00000 0.00000 0.50000 1.00000
  Ga3 Ga 0.56693 0.56693 0.22874 1.00000
  Ag1 Ag 0.85092 0.85092 0.03382 1.00000
  Ag2 Ag 0.14908 0.14908 0.96618 1.00000
  Sn1 Sn 0.71327 0.71327 0.67310 1.00000
  Sn2 Sn 0.28673 0.28673 0.32690 1.00000
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