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InGaAgSn

Alexandria ALEX

Alex-ID: agm005189701 · Space group: Pm (#6)

Basic Information

Formula
InGaAgSn
Alex-ID
agm005189701
Elements
4
Sites
4
Space group
Pm (#6)
Crystal system
monoclinic
Volume
91.17
ų
Cell a
3.0529
Å
Cell b
3.6548
Å
Cell c
8.2715
Å
α angle
91.11
°
β angle
98.87
°
γ angle
89.48
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
InGaAgSn
In
1.00 · 25.0%
Ga
1.00 · 25.0%
Ag
1.00 · 25.0%
Sn
1.00 · 25.0%

Energy & Stability

Energy above hull
0.0860
eV/atom
Formation energy
0.0562
eV/atom
Corrected total energy
-12.4281
eV
Raw total energy
-12.4281
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
0.8731
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_148_spg38

Decomposition

In2Ag5 Ga4Ag3 In Sn

Computed at

2022-07-10 11:47:50.679676

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: agm005189701).

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 agm005189701
data_agm005189701
_cell_length_a     3.05292
_cell_length_b     3.65476
_cell_length_c     8.27151
_cell_angle_alpha  91.10708
_cell_angle_beta   98.86988
_cell_angle_gamma  89.47887
_cell_volume       91.16831
_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
  In1 In 0.45477 0.93207 0.87941 1.00000
  Ga1 Ga 0.64439 0.92740 0.30942 1.00000
  Ag1 Ag 0.05276 0.42970 0.11373 1.00000
  Sn1 Sn 0.27847 0.42938 0.55819 1.00000
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