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Rb3Ag

Alexandria ALEX

Alex-ID: agm005543232 · Space group: Cmcm (#63)

Basic Information

Formula
Rb3Ag
Alex-ID
agm005543232
Elements
2
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
488.41
ų
Cell a
5.1685
Å
Cell b
8.4851
Å
Cell c
11.6923
Å
α angle
90.00
°
β angle
90.00
°
γ angle
107.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3Ag
Rb
6.00 · 75.0%
Ag
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0433
eV/atom
Formation energy
0.0433
eV/atom
Corrected total energy
-11.1618
eV
Raw total energy
-11.1618
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0748
eV
DOS at Fermi level
5.4151
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3_25_spg63

Decomposition

Ag Rb

Computed at

2023-05-28 18:44:09.129091

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: agm005543232).

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 agm005543232
data_agm005543232
_cell_length_a     5.16851
_cell_length_b     8.48508
_cell_length_c     11.69228
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  107.73196
_cell_volume       488.40648
_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 0.42332 0.84664 0.75000 1.00000
  Rb2 Rb 0.57668 0.15336 0.25000 1.00000
  Rb3 Rb 0.14920 0.29840 0.93424 1.00000
  Rb4 Rb 0.85080 0.70160 0.06576 1.00000
  Rb5 Rb 0.85080 0.70160 0.43424 1.00000
  Rb6 Rb 0.14920 0.29840 0.56576 1.00000
  Ag1 Ag 0.75630 0.51259 0.75000 1.00000
  Ag2 Ag 0.24370 0.48741 0.25000 1.00000
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