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Ag4Sn8F

Alexandria ALEX

Alex-ID: agm097489478 · Space group: P1 (#1)

Basic Information

Formula
Ag4Sn8F
Alex-ID
agm097489478
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
333.57
ų
Cell a
4.8175
Å
Cell b
8.2158
Å
Cell c
9.5732
Å
α angle
62.33
°
β angle
90.30
°
γ angle
84.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag4Sn8F
Ag
4.00 · 30.8%
Sn
8.00 · 61.5%
F
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1292
eV/atom
Formation energy
-0.1740
eV/atom
Corrected total energy
-47.1099
eV
Raw total energy
-47.1099
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.3144
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_829_spg6

Decomposition

Ag3Sn SnF2 Sn

Computed at

2025-06-15 10:58:48

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: agm097489478).

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 agm097489478
data_agm097489478
_cell_length_a     4.81745
_cell_length_b     8.21580
_cell_length_c     9.57324
_cell_angle_alpha  62.33319
_cell_angle_beta   90.29971
_cell_angle_gamma  84.58855
_cell_volume       333.56667
_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
  Ag1 Ag 0.08982 0.94203 0.84746 1.00000
  Ag2 Ag 0.15155 0.53998 0.00713 1.00000
  Ag3 Ag 0.00422 0.32352 0.60890 1.00000
  Ag4 Ag 0.70131 0.03268 0.38663 1.00000
  Sn1 Sn 0.68377 0.31718 0.05385 1.00000
  Sn2 Sn 0.76258 0.64901 0.34033 1.00000
  Sn3 Sn 0.90598 0.70320 0.68220 1.00000
  Sn4 Sn 0.55645 0.09419 0.65794 1.00000
  Sn5 Sn 0.21812 0.88875 0.30488 1.00000
  Sn6 Sn 0.16518 0.26641 0.33234 1.00000
  Sn7 Sn 0.46111 0.45476 0.71606 1.00000
  Sn8 Sn 0.61958 0.73616 0.00439 1.00000
  F1 F 0.18034 0.05212 0.05788 1.00000
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