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Sr2Ga3Ag

Alexandria ALEX

Alex-ID: agm017672203 · Space group: Cm (#8)

Basic Information

Formula
Sr2Ga3Ag
Alex-ID
agm017672203
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
148.72
ų
Cell a
6.0316
Å
Cell b
6.0316
Å
Cell c
7.7841
Å
α angle
51.11
°
β angle
128.89
°
γ angle
134.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ga3Ag
Sr
2.00 · 33.3%
Ga
3.00 · 50.0%
Ag
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0159
eV/atom
Formation energy
-0.4330
eV/atom
Corrected total energy
-17.9159
eV
Raw total energy
-17.9159
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0753
eV
DOS at Fermi level
3.0536
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C3_15_spg166

Decomposition

SrGa2 SrAg2

Computed at

2025-04-13 16:00:30

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: agm017672203).

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 agm017672203
data_agm017672203
_cell_length_a     6.03161
_cell_length_b     6.03161
_cell_length_c     7.78410
_cell_angle_alpha  51.10997
_cell_angle_beta   128.89003
_cell_angle_gamma  134.12484
_cell_volume       148.71941
_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 0.45454 0.54546 0.70094 1.00000
  Sr2 Sr 0.54335 0.45665 0.29567 1.00000
  Ga1 Ga 0.16705 0.83295 0.73221 1.00000
  Ga2 Ga 0.16232 0.83768 0.09918 1.00000
  Ga3 Ga 0.83910 0.16090 0.89033 1.00000
  Ag1 Ag 0.83299 0.16701 0.28166 1.00000
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