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Rb3Dy3SbTe8

Alexandria ALEX

Alex-ID: agm004697698 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Rb3Dy3SbTe8
Alex-ID
agm004697698
Elements
4
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
600.43
ų
Cell a
8.8811
Å
Cell b
8.8984
Å
Cell c
10.1691
Å
α angle
116.04
°
β angle
90.00
°
γ angle
119.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb3Dy3SbTe8
Rb
3.00 · 20.0%
Dy
3.00 · 20.0%
Sb
1.00 · 6.7%
Te
8.00 · 53.3%

Energy & Stability

Energy above hull
0.0355
eV/atom
Formation energy
-1.0936
eV/atom
Corrected total energy
-62.3733
eV
Raw total energy
-62.3733
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5093
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C3D8_25_spg166

Decomposition

RbDyTe4 RbDyTe2 Sb2Te3

Computed at

2022-07-03 03:01:05.015502

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: agm004697698).

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 agm004697698
data_agm004697698
_cell_length_a     8.88112
_cell_length_b     8.89841
_cell_length_c     10.16912
_cell_angle_alpha  116.04366
_cell_angle_beta   90.00000
_cell_angle_gamma  119.93574
_cell_volume       600.42500
_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
  Rb2 Rb 0.00000 0.50000 0.00000 1.00000
  Rb3 Rb 0.50000 0.50000 0.00000 1.00000
  Dy1 Dy 0.50000 0.00000 0.50000 1.00000
  Dy2 Dy 0.50000 0.50000 0.50000 1.00000
  Dy3 Dy 0.00000 0.50000 0.50000 1.00000
  Sb1 Sb 0.00000 0.00000 0.50000 1.00000
  Te1 Te 0.26667 0.53333 0.30018 1.00000
  Te2 Te 0.73333 0.46667 0.69982 1.00000
  Te3 Te 0.76904 0.53809 0.30436 1.00000
  Te4 Te 0.23096 0.46191 0.69564 1.00000
  Te5 Te 0.76902 0.03513 0.30454 1.00000
  Te6 Te 0.23098 0.96487 0.69546 1.00000
  Te7 Te 0.26612 0.03513 0.30454 1.00000
  Te8 Te 0.73388 0.96487 0.69546 1.00000
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