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RbDy2Ag3Te5

Alexandria ALEX

Alex-ID: agm005225064 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
RbDy2Ag3Te5
Alex-ID
agm005225064
Elements
4
Sites
22
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
688.32
ų
Cell a
8.4646
Å
Cell b
8.4646
Å
Cell c
18.4648
Å
α angle
90.00
°
β angle
90.00
°
γ angle
148.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbDy2Ag3Te5
Rb
2.00 · 9.1%
Dy
4.00 · 18.2%
Ag
6.00 · 27.3%
Te
10.00 · 45.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8734
eV/atom
Corrected total energy
-88.0887
eV
Raw total energy
-88.0887
eV

Electronic Structure

Indirect band gap
1.0032
eV
Direct band gap
1.0593
eV
DOS at Fermi level
-0.0128
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D5_8_spg63

Decomposition

RbDy2Ag3Te5

Computed at

2023-05-09 07:11:05.079529

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: agm005225064).

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 agm005225064
data_agm005225064
_cell_length_a     8.46464
_cell_length_b     8.46464
_cell_length_c     18.46478
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  148.64941
_cell_volume       688.32334
_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 0.55744 0.44256 0.25000 1.00000
  Rb2 Rb 0.44256 0.55744 0.75000 1.00000
  Dy1 Dy 0.69034 0.30966 0.90576 1.00000
  Dy2 Dy 0.30966 0.69034 0.09424 1.00000
  Dy3 Dy 0.69034 0.30966 0.59424 1.00000
  Dy4 Dy 0.30966 0.69034 0.40576 1.00000
  Ag1 Ag 0.83627 0.16373 0.25000 1.00000
  Ag2 Ag 0.16373 0.83627 0.75000 1.00000
  Ag3 Ag 0.08567 0.91433 0.46858 1.00000
  Ag4 Ag 0.91433 0.08567 0.53142 1.00000
  Ag5 Ag 0.08567 0.91433 0.03142 1.00000
  Ag6 Ag 0.91433 0.08567 0.96858 1.00000
  Te1 Te 0.06225 0.93775 0.87877 1.00000
  Te2 Te 0.93775 0.06225 0.12123 1.00000
  Te3 Te 0.06225 0.93775 0.62123 1.00000
  Te4 Te 0.93775 0.06225 0.37877 1.00000
  Te5 Te 0.32272 0.67728 0.92705 1.00000
  Te6 Te 0.67728 0.32272 0.07295 1.00000
  Te7 Te 0.32272 0.67728 0.57295 1.00000
  Te8 Te 0.67728 0.32272 0.42705 1.00000
  Te9 Te 0.23951 0.76049 0.25000 1.00000
  Te10 Te 0.76049 0.23951 0.75000 1.00000
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