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Rb4Ag

Alexandria ALEX

Alex-ID: agm005545129 · Space group: Ibam (#72)

Basic Information

Formula
Rb4Ag
Alex-ID
agm005545129
Elements
2
Sites
10
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
687.11
ų
Cell a
8.1061
Å
Cell b
9.3274
Å
Cell c
10.9892
Å
α angle
115.11
°
β angle
111.64
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb4Ag
Rb
8.00 · 80.0%
Ag
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0475
eV/atom
Formation energy
0.0475
eV/atom
Corrected total energy
-12.9682
eV
Raw total energy
-12.9682
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0277
eV
DOS at Fermi level
6.5755
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_410_spg72

Decomposition

Ag Rb

Computed at

2023-05-29 01:54:10.724416

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: agm005545129).

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 agm005545129
data_agm005545129
_cell_length_a     8.10611
_cell_length_b     9.32740
_cell_length_c     10.98925
_cell_angle_alpha  115.11220
_cell_angle_beta   111.64322
_cell_angle_gamma  89.99927
_cell_volume       687.10918
_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 0.66396 0.02117 0.32792 1.00000
  Rb2 Rb 0.16396 0.30676 0.32792 1.00000
  Rb3 Rb 0.42525 0.62075 0.85049 1.00000
  Rb4 Rb 0.92524 0.22974 0.85049 1.00000
  Rb5 Rb 0.57475 0.37925 0.14951 1.00000
  Rb6 Rb 0.07476 0.77026 0.14951 1.00000
  Rb7 Rb 0.83604 0.69324 0.67208 1.00000
  Rb8 Rb 0.33604 0.97883 0.67208 1.00000
  Ag1 Ag 0.75000 0.00000 0.00000 1.00000
  Ag2 Ag 0.25000 0.00000 1.00000 1.00000
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