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Sr3Ag4Sn7

Alexandria ALEX

Alex-ID: agm005698248 · Space group: C2/m (#12)

Basic Information

Formula
Sr3Ag4Sn7
Alex-ID
agm005698248
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
374.77
ų
Cell a
4.7792
Å
Cell b
9.4970
Å
Cell c
9.1542
Å
α angle
71.99
°
β angle
74.87
°
γ angle
75.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Ag4Sn7
Sr
3.00 · 21.4%
Ag
4.00 · 28.6%
Sn
7.00 · 50.0%

Energy & Stability

Energy above hull
0.0022
eV/atom
Formation energy
-0.3651
eV/atom
Corrected total energy
-49.6051
eV
Raw total energy
-49.6050
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0156
eV
DOS at Fermi level
4.0637
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C7_34_spg12

Decomposition

Sr2Ag3Sn5 SrAgSn2

Computed at

2023-06-29 17:46:44.171889

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: agm005698248).

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 agm005698248
data_agm005698248
_cell_length_a     4.77920
_cell_length_b     9.49700
_cell_length_c     9.15424
_cell_angle_alpha  71.99233
_cell_angle_beta   74.86835
_cell_angle_gamma  75.42681
_cell_volume       374.77106
_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
  Sr1 Sr 0.30854 0.18032 0.20259 1.00000
  Sr2 Sr 0.69146 0.81968 0.79741 1.00000
  Sr3 Sr 0.00000 0.50000 0.50000 1.00000
  Ag1 Ag 0.65806 0.45368 0.23020 1.00000
  Ag2 Ag 0.34194 0.54632 0.76980 1.00000
  Ag3 Ag 0.86251 0.91686 0.35812 1.00000
  Ag4 Ag 0.13749 0.08314 0.64188 1.00000
  Sn1 Sn 0.33639 0.80387 0.52336 1.00000
  Sn2 Sn 0.48900 0.22117 0.80082 1.00000
  Sn3 Sn 0.83875 0.39814 0.92436 1.00000
  Sn4 Sn 0.66361 0.19613 0.47664 1.00000
  Sn5 Sn 0.16125 0.60186 0.07564 1.00000
  Sn6 Sn 0.00000 0.00000 0.00000 1.00000
  Sn7 Sn 0.51100 0.77883 0.19918 1.00000
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