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Sr8GaAg2

Alexandria ALEX

Alex-ID: agm005999260 · Space group: Cm (#8)

Basic Information

Formula
Sr8GaAg2
Alex-ID
agm005999260
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
467.65
ų
Cell a
6.8724
Å
Cell b
8.8075
Å
Cell c
8.8075
Å
α angle
112.25
°
β angle
100.24
°
γ angle
100.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8GaAg2
Sr
8.00 · 72.7%
Ag
2.00 · 18.2%
Ga
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0777
eV/atom
Formation energy
-0.1226
eV/atom
Corrected total energy
-23.5965
eV
Raw total energy
-23.5965
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9807
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1400_spg5

Decomposition

Sr3Ag Sr8Ga7 Sr

Computed at

2023-10-18 22:04:41.101546

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: agm005999260).

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 agm005999260
data_agm005999260
_cell_length_a     6.87239
_cell_length_b     8.80752
_cell_length_c     8.80752
_cell_angle_alpha  112.24570
_cell_angle_beta   100.24180
_cell_angle_gamma  100.24178
_cell_volume       467.65263
_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 0.57475 0.33946 0.08093 1.00000
  Sr2 Sr 0.57475 0.08093 0.33946 1.00000
  Sr3 Sr 0.17298 0.35849 0.35849 1.00000
  Sr4 Sr 0.98239 0.20967 0.78740 1.00000
  Sr5 Sr 0.98239 0.78740 0.20967 1.00000
  Sr6 Sr 0.80271 0.64625 0.64625 1.00000
  Sr7 Sr 0.37174 0.92695 0.66510 1.00000
  Sr8 Sr 0.37174 0.66510 0.92695 1.00000
  Ag1 Ag 0.49320 0.69533 0.32089 1.00000
  Ag2 Ag 0.49320 0.32089 0.69533 1.00000
  Ga1 Ga 0.17980 0.00348 0.00348 1.00000
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