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Rb4Na2Ag

Alexandria ALEX

Alex-ID: agm096538841 · Space group: Pm (#6)

Basic Information

Formula
Rb4Na2Ag
Alex-ID
agm096538841
Elements
3
Sites
7
Space group
Pm (#6)
Crystal system
monoclinic
Volume
430.71
ų
Cell a
5.9079
Å
Cell b
6.3294
Å
Cell c
11.5332
Å
α angle
90.95
°
β angle
87.35
°
γ angle
89.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb4Na2Ag
Rb
4.00 · 57.1%
Na
2.00 · 28.6%
Ag
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0864
eV/atom
Formation energy
0.0677
eV/atom
Corrected total energy
-8.8860
eV
Raw total energy
-8.8860
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4054
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

Rb NaAg2 Na

Computed at

2025-04-10 22:27:59

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: agm096538841).

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 agm096538841
data_agm096538841
_cell_length_a     5.90793
_cell_length_b     6.32943
_cell_length_c     11.53319
_cell_angle_alpha  90.95192
_cell_angle_beta   87.35354
_cell_angle_gamma  89.23670
_cell_volume       430.70829
_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 0.71706 0.49666 0.84258 1.00000
  Rb2 Rb 0.68212 0.00505 0.32498 1.00000
  Rb3 Rb 0.30772 0.99367 0.67995 1.00000
  Rb4 Rb 0.28982 0.50429 0.15321 1.00000
  Na1 Na 0.99679 0.00082 0.00407 1.00000
  Na2 Na 0.00868 0.49910 0.49713 1.00000
  Ag1 Ag 0.49779 0.00041 0.99807 1.00000
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