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Rb3In7Ag2

Alexandria ALEX

Alex-ID: agm027092829 · Space group: R-3m (#166)

Basic Information

Formula
Rb3In7Ag2
Alex-ID
agm027092829
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
369.87
ų
Cell a
6.5935
Å
Cell b
6.5935
Å
Cell c
10.5422
Å
α angle
71.54
°
β angle
108.46
°
γ angle
119.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3In7Ag2
Rb
3.00 · 25.0%
In
7.00 · 58.3%
Ag
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0531
eV/atom
Formation energy
-0.0436
eV/atom
Corrected total energy
-28.5165
eV
Raw total energy
-28.5165
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
7.5323
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_62_spg12

Decomposition

InAg7 Rb8In11 RbIn4

Computed at

2025-05-17 09:42:30

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: agm027092829).

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 agm027092829
data_agm027092829
_cell_length_a     6.59352
_cell_length_b     6.59352
_cell_length_c     10.54220
_cell_angle_alpha  71.54044
_cell_angle_beta   108.45956
_cell_angle_gamma  119.87230
_cell_volume       369.87068
_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 0.00000 0.00000 0.50000 1.00000
  Rb2 Rb 0.14375 0.85625 0.93097 1.00000
  Rb3 Rb 0.85625 0.14375 0.06903 1.00000
  In1 In 0.50000 0.50000 0.00000 1.00000
  In2 In 0.07234 0.42111 0.72932 1.00000
  In3 In 0.57889 0.92766 0.72932 1.00000
  In4 In 0.58059 0.41941 0.72995 1.00000
  In5 In 0.92766 0.57889 0.27068 1.00000
  In6 In 0.41941 0.58059 0.27005 1.00000
  In7 In 0.42111 0.07234 0.27068 1.00000
  Ag1 Ag 0.33655 0.66345 0.50626 1.00000
  Ag2 Ag 0.66345 0.33655 0.49374 1.00000
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