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Rb(Te2Rh)2

Alexandria ALEX

Alex-ID: agm044110943 · Space group: C2/m (#12)

Basic Information

Formula
Rb(Te2Rh)2
Alex-ID
agm044110943
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
234.22
ų
Cell a
9.5875
Å
Cell b
9.5875
Å
Cell c
6.7036
Å
α angle
68.79
°
β angle
111.21
°
γ angle
155.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(Te2Rh)2
Rb
1.00 · 14.3%
Te
4.00 · 57.1%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0165
eV/atom
Formation energy
-0.5255
eV/atom
Corrected total energy
-31.9159
eV
Raw total energy
-31.9159
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7980
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_22_spg12

Decomposition

Te8Rh9 Rb2Te Te2Rh

Computed at

2025-05-27 22:16:18

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: agm044110943).

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 agm044110943
data_agm044110943
_cell_length_a     9.58749
_cell_length_b     9.58749
_cell_length_c     6.70365
_cell_angle_alpha  68.78683
_cell_angle_beta   111.21317
_cell_angle_gamma  155.84918
_cell_volume       234.21703
_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 0.50000 0.50000 0.50000 1.00000
  Te1 Te 0.66864 0.33136 0.32654 1.00000
  Te2 Te 0.33136 0.66864 0.67346 1.00000
  Te3 Te 0.16940 0.83060 0.82828 1.00000
  Te4 Te 0.83060 0.16940 0.17172 1.00000
  Rh1 Rh 0.24981 0.75019 0.25173 1.00000
  Rh2 Rh 0.75019 0.24981 0.74827 1.00000
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