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RbDy5Te8

Alexandria ALEX

Alex-ID: agm028058910 · Space group: C2/m (#12)

Basic Information

Formula
RbDy5Te8
Alex-ID
agm028058910
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
523.44
ų
Cell a
11.5610
Å
Cell b
11.5610
Å
Cell c
10.8004
Å
α angle
75.94
°
β angle
104.06
°
γ angle
158.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbDy5Te8
Rb
1.00 · 7.1%
Dy
5.00 · 35.7%
Te
8.00 · 57.1%

Energy & Stability

Energy above hull
0.0137
eV/atom
Formation energy
-1.3945
eV/atom
Corrected total energy
-68.6422
eV
Raw total energy
-68.6422
eV

Electronic Structure

Indirect band gap
0.8655
eV
Direct band gap
1.0430
eV
DOS at Fermi level
-0.0201
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C8_3_spg8

Decomposition

RbDy3Te5 Dy2Te3

Computed at

2025-01-03 09:10:38

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: agm028058910).

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 agm028058910
data_agm028058910
_cell_length_a     11.56099
_cell_length_b     11.56099
_cell_length_c     10.80035
_cell_angle_alpha  75.93785
_cell_angle_beta   104.06215
_cell_angle_gamma  158.02199
_cell_volume       523.43531
_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 0.00000 1.00000
  Dy1 Dy 0.70477 0.29523 0.84425 1.00000
  Dy2 Dy 0.29523 0.70477 0.15575 1.00000
  Dy3 Dy 0.65487 0.34513 0.46458 1.00000
  Dy4 Dy 0.34513 0.65487 0.53542 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Te1 Te 0.76667 0.23333 0.34791 1.00000
  Te2 Te 0.23333 0.76667 0.65209 1.00000
  Te3 Te 0.83521 0.16479 0.00255 1.00000
  Te4 Te 0.16479 0.83521 0.99745 1.00000
  Te5 Te 0.91882 0.08118 0.69312 1.00000
  Te6 Te 0.08118 0.91882 0.30688 1.00000
  Te7 Te 0.57650 0.42350 0.66045 1.00000
  Te8 Te 0.42350 0.57650 0.33955 1.00000
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