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Ag7O5

Alexandria ALEX

Alex-ID: agm003293137 · Space group: C2/m (#12)

Basic Information

Formula
Ag7O5
Alex-ID
agm003293137
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
172.70
ų
Cell a
3.1448
Å
Cell b
5.4165
Å
Cell c
10.9241
Å
α angle
103.48
°
β angle
90.00
°
γ angle
106.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag7O5
Ag
7.00 · 58.3%
O
5.00 · 41.7%

Energy & Stability

Energy above hull
0.1117
eV/atom
Formation energy
-0.2630
eV/atom
Corrected total energy
-47.9062
eV
Raw total energy
-44.3948
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4630
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_40_spg12

Decomposition

Ag2O AgO

Computed at

2022-01-17 05:03:54.275926

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: agm003293137).

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 agm003293137
data_agm003293137
_cell_length_a     3.14481
_cell_length_b     5.41647
_cell_length_c     10.92407
_cell_angle_alpha  103.47871
_cell_angle_beta   90.00000
_cell_angle_gamma  106.87598
_cell_volume       172.70212
_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
  Ag1 Ag 0.26046 0.52092 0.65434 1.00000
  Ag2 Ag 0.73954 0.47908 0.34566 1.00000
  Ag3 Ag 0.97896 0.95791 0.22067 1.00000
  Ag4 Ag 0.02104 0.04209 0.77933 1.00000
  Ag5 Ag 0.65633 0.31266 0.07709 1.00000
  Ag6 Ag 0.50000 0.00000 0.50000 1.00000
  Ag7 Ag 0.34367 0.68734 0.92291 1.00000
  O1 O 0.10910 0.21819 0.43311 1.00000
  O2 O 0.89090 0.78181 0.56689 1.00000
  O3 O 0.29061 0.58122 0.19124 1.00000
  O4 O 0.70939 0.41878 0.80876 1.00000
  O5 O 0.00000 0.00000 0.00000 1.00000
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