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RbAgTe5

Alexandria ALEX

Alex-ID: agm005756723 · Space group: P-1 (#2)

Basic Information

Formula
RbAgTe5
Alex-ID
agm005756723
Elements
3
Sites
14
Space group
P-1 (#2)
Crystal system
triclinic
Volume
551.39
ų
Cell a
11.3867
Å
Cell b
11.3880
Å
Cell c
7.5295
Å
α angle
107.20
°
β angle
71.98
°
γ angle
143.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbAgTe5
Rb
2.00 · 14.3%
Ag
2.00 · 14.3%
Te
10.00 · 71.4%

Energy & Stability

Energy above hull
0.0639
eV/atom
Formation energy
-0.2266
eV/atom
Corrected total energy
-42.2262
eV
Raw total energy
-42.2262
eV

Electronic Structure

Indirect band gap
0.3112
eV
Direct band gap
0.5185
eV
DOS at Fermi level
-0.0252
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC5_1242_spg2

Decomposition

Rb2Te5 RbAg3Te2 Te

Computed at

2023-07-17 15:15:13.980088

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: agm005756723).

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 agm005756723
data_agm005756723
_cell_length_a     11.38668
_cell_length_b     11.38800
_cell_length_c     7.52946
_cell_angle_alpha  107.19730
_cell_angle_beta   71.98374
_cell_angle_gamma  143.42063
_cell_volume       551.38662
_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 0.52890 0.80988 0.28723 1.00000
  Rb2 Rb 0.47110 0.19012 0.71277 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.50000 0.50000 0.50000 1.00000
  Te1 Te 0.07677 0.29894 0.12048 1.00000
  Te2 Te 0.91824 0.26280 0.78177 1.00000
  Te3 Te 0.88211 0.75884 0.56234 1.00000
  Te4 Te 0.41377 0.18013 0.23319 1.00000
  Te5 Te 0.26807 0.73267 0.80380 1.00000
  Te6 Te 0.73193 0.26733 0.19620 1.00000
  Te7 Te 0.58623 0.81987 0.76681 1.00000
  Te8 Te 0.11789 0.24116 0.43766 1.00000
  Te9 Te 0.08176 0.73720 0.21823 1.00000
  Te10 Te 0.92323 0.70106 0.87952 1.00000
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