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Sr(Ag2O)4

Alexandria ALEX

Alex-ID: agm097380798 · Space group: P1 (#1)

Basic Information

Formula
Sr(Ag2O)4
Alex-ID
agm097380798
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
219.52
ų
Cell a
3.3210
Å
Cell b
8.8072
Å
Cell c
8.6092
Å
α angle
63.59
°
β angle
102.93
°
γ angle
98.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr(Ag2O)4
Sr
1.00 · 7.7%
Ag
8.00 · 61.5%
O
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1306
eV/atom
Formation energy
-0.5920
eV/atom
Corrected total energy
-52.0285
eV
Raw total energy
-49.2193
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0599
eV
DOS at Fermi level
1.7063
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_526_spg71

Decomposition

Sr(AgO2)2 Ag

Computed at

2025-06-17 20:52:17

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: agm097380798).

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 agm097380798
data_agm097380798
_cell_length_a     3.32097
_cell_length_b     8.80721
_cell_length_c     8.60915
_cell_angle_alpha  63.59242
_cell_angle_beta   102.93154
_cell_angle_gamma  98.30808
_cell_volume       219.51761
_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 0.79338 0.19316 0.91920 1.00000
  Ag1 Ag 0.44538 0.14030 0.30857 1.00000
  Ag2 Ag 0.00432 0.46691 0.16054 1.00000
  Ag3 Ag 0.78785 0.79943 0.48126 1.00000
  Ag4 Ag 0.15440 0.16057 0.58315 1.00000
  Ag5 Ag 0.11883 0.76277 0.21813 1.00000
  Ag6 Ag 0.65347 0.48564 0.44661 1.00000
  Ag7 Ag 0.34624 0.57401 0.77052 1.00000
  Ag8 Ag 0.93075 0.81027 0.84508 1.00000
  O1 O 0.25016 0.96939 0.97958 1.00000
  O2 O 0.42552 0.33375 0.04859 1.00000
  O3 O 0.20476 0.35777 0.67223 1.00000
  O4 O 0.38496 0.94605 0.56655 1.00000
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