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Rb(Ag3Te2)2

Alexandria ALEX

Alex-ID: agm003661947 · Space group: P-6m2 (#187)

Basic Information

Formula
Rb(Ag3Te2)2
Alex-ID
agm003661947
Elements
3
Sites
11
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
286.05
ų
Cell a
4.5625
Å
Cell b
8.5086
Å
Cell c
8.5086
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(Ag3Te2)2
Rb
1.00 · 9.1%
Ag
6.00 · 54.5%
Te
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1040
eV/atom
Formation energy
-0.1310
eV/atom
Corrected total energy
-32.0823
eV
Raw total energy
-32.0823
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9505
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C6_3_spg187

Decomposition

RbAg5Te3 Ag2Te Te

Computed at

2022-04-08 12:45:17.403823

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: agm003661947).

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 agm003661947
data_agm003661947
_cell_length_a     4.56252
_cell_length_b     8.50855
_cell_length_c     8.50855
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       286.05306
_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 0.00000 1.00000
  Ag1 Ag 0.00000 0.54576 0.09152 1.00000
  Ag2 Ag 0.50000 0.59586 0.79793 1.00000
  Ag3 Ag 0.00000 0.54576 0.45424 1.00000
  Ag4 Ag 0.00000 0.90848 0.45424 1.00000
  Ag5 Ag 0.50000 0.20207 0.79793 1.00000
  Ag6 Ag 0.50000 0.20207 0.40414 1.00000
  Te1 Te 0.50000 0.81402 0.62804 1.00000
  Te2 Te 0.50000 0.37196 0.18598 1.00000
  Te3 Te 0.50000 0.81402 0.18598 1.00000
  Te4 Te 0.00000 0.33333 0.66667 1.00000
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