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Rb2Ag2O3

Alexandria ALEX

Alex-ID: agm003307682 · Space group: C2/m (#12)

Basic Information

Formula
Rb2Ag2O3
Alex-ID
agm003307682
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
144.14
ų
Cell a
4.3657
Å
Cell b
5.8315
Å
Cell c
6.4638
Å
α angle
110.16
°
β angle
109.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2Ag2O3
Rb
2.00 · 28.6%
Ag
2.00 · 28.6%
O
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0951
eV/atom
Formation energy
-0.9101
eV/atom
Corrected total energy
-28.8832
eV
Raw total energy
-26.7763
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
2.6120
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_235_spg12

Decomposition

RbAgO2 RbAgO

Computed at

2022-02-03 19:53:37.553289

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: agm003307682).

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 agm003307682
data_agm003307682
_cell_length_a     4.36568
_cell_length_b     5.83154
_cell_length_c     6.46381
_cell_angle_alpha  110.15836
_cell_angle_beta   109.73691
_cell_angle_gamma  90.00000
_cell_volume       144.13781
_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
  Rb1 Rb 0.40551 0.17548 0.81103 1.00000
  Rb2 Rb 0.59449 0.82452 0.18897 1.00000
  Ag1 Ag 0.15503 0.32585 0.31007 1.00000
  Ag2 Ag 0.84497 0.67415 0.68993 1.00000
  O1 O 0.00000 0.00000 0.00000 1.00000
  O2 O 0.32200 0.63293 0.64400 1.00000
  O3 O 0.67800 0.36707 0.35600 1.00000
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