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In8Ag4Sn

Alexandria ALEX

Alex-ID: agm097573985 · Space group: P1 (#1)

Basic Information

Formula
In8Ag4Sn
Alex-ID
agm097573985
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
323.00
ų
Cell a
4.3326
Å
Cell b
9.8839
Å
Cell c
9.0576
Å
α angle
120.14
°
β angle
90.03
°
γ angle
76.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In8Ag4Sn
In
8.00 · 61.5%
Ag
4.00 · 30.8%
Sn
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0790
eV/atom
Formation energy
0.0677
eV/atom
Corrected total energy
-36.6854
eV
Raw total energy
-36.6854
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1148
eV
DOS at Fermi level
3.1096
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1509_spg8

Decomposition

In2Ag5 In Sn

Computed at

2025-06-01 21:17:28

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: agm097573985).

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 agm097573985
data_agm097573985
_cell_length_a     4.33256
_cell_length_b     9.88387
_cell_length_c     9.05759
_cell_angle_alpha  120.14066
_cell_angle_beta   90.02732
_cell_angle_gamma  76.49805
_cell_volume       322.99687
_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 0.39442 0.20532 0.43867 1.00000
  In2 In 0.37995 0.23549 0.88270 1.00000
  In3 In 0.24086 0.54517 0.31427 1.00000
  In4 In 0.17464 0.67213 0.76286 1.00000
  In5 In 0.87927 0.23820 0.17393 1.00000
  In6 In 0.79239 0.40113 0.76567 1.00000
  In7 In 0.57369 0.79603 0.22078 1.00000
  In8 In 0.59310 0.83265 0.57385 1.00000
  Ag1 Ag 0.00286 0.00321 0.81279 1.00000
  Ag2 Ag 0.98657 0.02356 0.50668 1.00000
  Ag3 Ag 0.18854 0.58247 0.02105 1.00000
  Ag4 Ag 0.76933 0.50138 0.51210 1.00000
  Sn1 Sn 0.52439 0.96326 0.01465 1.00000
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