Navigation

HEAS Data Platform · Materials Science Database

Sr8Al4Si

Alexandria ALEX

Alex-ID: agm098064013 · Space group: Pm (#6)

Basic Information

Formula
Sr8Al4Si
Alex-ID
agm098064013
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
471.67
ų
Cell a
4.3653
Å
Cell b
11.6015
Å
Cell c
10.5814
Å
α angle
61.66
°
β angle
90.02
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Al4Si
Sr
8.00 · 61.5%
Al
4.00 · 30.8%
Si
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1456
eV/atom
Formation energy
-0.0704
eV/atom
Corrected total energy
-34.8365
eV
Raw total energy
-34.8365
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0402
eV
DOS at Fermi level
14.1796
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_2019_spg44

Decomposition

Sr7Al10 Sr2Si Sr

Computed at

2025-06-02 08:15:10

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: agm098064013).

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 agm098064013
data_agm098064013
_cell_length_a     4.36534
_cell_length_b     11.60150
_cell_length_c     10.58143
_cell_angle_alpha  61.66121
_cell_angle_beta   90.01518
_cell_angle_gamma  90.00034
_cell_volume       471.66804
_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 0.69225 0.12836 0.17665 1.00000
  Sr2 Sr 0.69248 0.61320 0.23912 1.00000
  Sr3 Sr 0.69232 0.71391 0.62541 1.00000
  Sr4 Sr 0.69207 0.16558 0.66942 1.00000
  Sr5 Sr 0.19230 0.84053 0.28989 1.00000
  Sr6 Sr 0.19232 0.33495 0.29014 1.00000
  Sr7 Sr 0.19206 0.39379 0.84658 1.00000
  Sr8 Sr 0.19220 0.80655 0.88527 1.00000
  Al1 Al 0.19223 0.07202 0.95223 1.00000
  Al2 Al 0.69223 0.50696 0.00020 1.00000
  Al3 Al 0.19279 0.50018 0.49974 1.00000
  Al4 Al 0.19253 0.99538 0.49800 1.00000
  Si1 Si 0.69221 0.92859 0.02734 1.00000
Get direct link