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Sr3Al7Ag2

Alexandria ALEX

Alex-ID: agm002134331 · Space group: R-3m (#166)

Basic Information

Formula
Sr3Al7Ag2
Alex-ID
agm002134331
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
266.86
ų
Cell a
5.7994
Å
Cell b
5.7994
Å
Cell c
9.7548
Å
α angle
72.71
°
β angle
72.71
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Al7Ag2
Sr
3.00 · 25.0%
Al
7.00 · 58.3%
Ag
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0027
eV/atom
Formation energy
-0.2746
eV/atom
Corrected total energy
-40.2849
eV
Raw total energy
-40.2849
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9132
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

SrAl3Ag Sr5Al9 SrAg

Computed at

2018-06-10 13:27:28

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: agm002134331).

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 agm002134331
data_agm002134331
_cell_length_a     5.79936
_cell_length_b     5.79936
_cell_length_c     9.75479
_cell_angle_alpha  72.70707
_cell_angle_beta   72.70707
_cell_angle_gamma  60.00000
_cell_volume       266.86327
_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 0.00000 0.00000 0.00000 1.00000
  Sr2 Sr 0.14248 0.14248 0.57257 1.00000
  Sr3 Sr 0.85752 0.85752 0.42743 1.00000
  Al1 Al 0.92542 0.41615 0.24229 1.00000
  Al2 Al 0.41615 0.92542 0.24229 1.00000
  Al3 Al 0.50000 0.50000 0.50000 1.00000
  Al4 Al 0.07458 0.58385 0.75771 1.00000
  Al5 Al 0.41615 0.41615 0.24229 1.00000
  Al6 Al 0.58385 0.07458 0.75771 1.00000
  Al7 Al 0.58385 0.58385 0.75771 1.00000
  Ag1 Ag 0.66405 0.66405 0.00784 1.00000
  Ag2 Ag 0.33595 0.33595 0.99216 1.00000
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