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Si(Ag4O3)2

Alexandria ALEX

Alex-ID: agm072907124 · Space group: P-1 (#2)

Basic Information

Formula
Si(Ag4O3)2
Alex-ID
agm072907124
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
210.73
ų
Cell a
5.5972
Å
Cell b
5.6117
Å
Cell c
7.6316
Å
α angle
102.73
°
β angle
114.48
°
γ angle
91.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Si(Ag4O3)2
Si
1.00 · 6.7%
Ag
8.00 · 53.3%
O
6.00 · 40.0%

Energy & Stability

Energy above hull
0.1346
eV/atom
Formation energy
-0.7664
eV/atom
Corrected total energy
-69.4786
eV
Raw total energy
-65.2648
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0878
eV
DOS at Fermi level
6.1611
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_152_spg2

Decomposition

Ag2O SiO2

Computed at

2024-10-07 00:28:26.877110

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: agm072907124).

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 agm072907124
data_agm072907124
_cell_length_a     5.59717
_cell_length_b     5.61171
_cell_length_c     7.63161
_cell_angle_alpha  102.73131
_cell_angle_beta   114.47643
_cell_angle_gamma  91.85587
_cell_volume       210.72533
_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
  Si1 Si 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.11241 0.20148 0.46631 1.00000
  Ag2 Ag 0.88759 0.79852 0.53369 1.00000
  Ag3 Ag 0.45253 0.18992 0.85936 1.00000
  Ag4 Ag 0.92840 0.41450 0.76150 1.00000
  Ag5 Ag 0.56393 0.33883 0.35308 1.00000
  Ag6 Ag 0.54747 0.81008 0.14064 1.00000
  Ag7 Ag 0.07160 0.58550 0.23850 1.00000
  Ag8 Ag 0.43607 0.66117 0.64692 1.00000
  O1 O 0.77889 0.73768 0.97178 1.00000
  O2 O 0.24993 0.94706 0.23661 1.00000
  O3 O 0.85747 0.20195 0.13971 1.00000
  O4 O 0.22111 0.26232 0.02822 1.00000
  O5 O 0.75007 0.05294 0.76339 1.00000
  O6 O 0.14253 0.79805 0.86029 1.00000
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