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Sr2Ga2Ag3

Alexandria ALEX

Alex-ID: agm003307136 · Space group: Cmmm (#65)

Basic Information

Formula
Sr2Ga2Ag3
Alex-ID
agm003307136
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
170.01
ų
Cell a
3.8230
Å
Cell b
4.4013
Å
Cell c
10.3409
Å
α angle
102.29
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ga2Ag3
Sr
2.00 · 28.6%
Ga
2.00 · 28.6%
Ag
3.00 · 42.9%

Energy & Stability

Energy above hull
0.1584
eV/atom
Formation energy
-0.1871
eV/atom
Corrected total energy
-19.3009
eV
Raw total energy
-19.3009
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.4061
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_164_spg65

Decomposition

SrGa2 SrAg5 SrAg2

Computed at

2022-02-02 15:18:03.184250

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: agm003307136).

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 agm003307136
data_agm003307136
_cell_length_a     3.82303
_cell_length_b     4.40125
_cell_length_c     10.34092
_cell_angle_alpha  102.28693
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       170.01193
_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 0.84995 0.69991 1.00000
  Sr2 Sr 0.00000 0.15005 0.30009 1.00000
  Ga1 Ga 0.50000 0.71479 0.42959 1.00000
  Ga2 Ga 0.50000 0.28521 0.57041 1.00000
  Ag1 Ag 0.50000 0.56787 0.13573 1.00000
  Ag2 Ag 0.50000 0.43213 0.86427 1.00000
  Ag3 Ag 0.00000 0.00000 0.00000 1.00000
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