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Rb8AlTe4

Alexandria ALEX

Alex-ID: agm097804853 · Space group: P1 (#1)

Basic Information

Formula
Rb8AlTe4
Alex-ID
agm097804853
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
649.71
ų
Cell a
5.6063
Å
Cell b
11.3266
Å
Cell c
11.2183
Å
α angle
65.90
°
β angle
87.67
°
γ angle
89.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb8AlTe4
Rb
8.00 · 61.5%
Al
1.00 · 7.7%
Te
4.00 · 30.8%

Energy & Stability

Energy above hull
0.2005
eV/atom
Formation energy
-0.7257
eV/atom
Corrected total energy
-33.4867
eV
Raw total energy
-33.4867
eV

Electronic Structure

Indirect band gap
0.1925
eV
Direct band gap
0.2977
eV
DOS at Fermi level
1.9872
Total magnetisation
1.0047
μB

Additional Information

Prototype ID

AB4C8_692_spg1

Decomposition

Rb2Te Al

Computed at

2025-06-02 09:10:51

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: agm097804853).

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 agm097804853
data_agm097804853
_cell_length_a     5.60628
_cell_length_b     11.32656
_cell_length_c     11.21828
_cell_angle_alpha  65.90091
_cell_angle_beta   87.67123
_cell_angle_gamma  89.49437
_cell_volume       649.70994
_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 0.82233 0.13883 0.20492 1.00000
  Rb2 Rb 0.76604 0.68064 0.12642 1.00000
  Rb3 Rb 0.75075 0.60471 0.76425 1.00000
  Rb4 Rb 0.77423 0.15432 0.58067 1.00000
  Rb5 Rb 0.26145 0.73749 0.42991 1.00000
  Rb6 Rb 0.27531 0.39973 0.33365 1.00000
  Rb7 Rb 0.26021 0.31097 0.80034 1.00000
  Rb8 Rb 0.25049 0.88289 0.81192 1.00000
  Al1 Al 0.31534 0.97566 0.08444 1.00000
  Te1 Te 0.73592 0.03733 0.93055 1.00000
  Te2 Te 0.23624 0.53338 0.97845 1.00000
  Te3 Te 0.75972 0.49930 0.49797 1.00000
  Te4 Te 0.29199 0.04474 0.45651 1.00000
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