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RbInAg

Alexandria ALEX

Alex-ID: agm005583485 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
RbInAg
Alex-ID
agm005583485
Elements
3
Sites
6
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
213.64
ų
Cell a
4.9886
Å
Cell b
5.2843
Å
Cell c
8.1144
Å
α angle
92.86
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbInAg
Rb
2.00 · 33.3%
In
2.00 · 33.3%
Ag
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0238
eV/atom
Formation energy
-0.0528
eV/atom
Corrected total energy
-13.4937
eV
Raw total energy
-13.4937
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0454
eV
DOS at Fermi level
2.5628
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_7655_spg11

Decomposition

Rb8In11 Rb Ag

Computed at

2023-06-18 07:15:18.137644

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: agm005583485).

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 agm005583485
data_agm005583485
_cell_length_a     4.98860
_cell_length_b     5.28428
_cell_length_c     8.11436
_cell_angle_alpha  92.86202
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       213.63716
_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 0.75000 0.75836 0.65612 1.00000
  Rb2 Rb 0.25000 0.24164 0.34388 1.00000
  In1 In 0.75000 0.68098 0.14079 1.00000
  In2 In 0.25000 0.31902 0.85921 1.00000
  Ag1 Ag 0.75000 0.17037 0.00311 1.00000
  Ag2 Ag 0.25000 0.82963 0.99689 1.00000
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