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Dy2(CdRh)3

Alexandria ALEX

Alex-ID: agm009378754 · Space group: R3m (#160)

Basic Information

Formula
Dy2(CdRh)3
Alex-ID
agm009378754
Elements
3
Sites
8
Space group
R3m (#160)
Crystal system
trigonal
Volume
155.82
ų
Cell a
8.3724
Å
Cell b
8.3724
Å
Cell c
8.3724
Å
α angle
33.11
°
β angle
33.11
°
γ angle
33.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2(CdRh)3
Dy
2.00 · 25.0%
Cd
3.00 · 37.5%
Rh
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0898
eV/atom
Formation energy
-0.4589
eV/atom
Corrected total energy
-37.7036
eV
Raw total energy
-37.7036
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9971
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B3C3_265_spg8

Decomposition

DyCdRh Dy(Cd10Rh)2 Dy2CdRh3

Computed at

2024-05-10 13:42:25.398440

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: agm009378754).

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 agm009378754
data_agm009378754
_cell_length_a     8.37237
_cell_length_b     8.37237
_cell_length_c     8.37237
_cell_angle_alpha  33.10504
_cell_angle_beta   33.10504
_cell_angle_gamma  33.10504
_cell_volume       155.82319
_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
  Dy1 Dy 0.00919 0.00919 0.00919 1.00000
  Dy2 Dy 0.49387 0.49387 0.49387 1.00000
  Cd1 Cd 0.24713 0.24713 0.24713 1.00000
  Cd2 Cd 0.75271 0.75271 0.75271 1.00000
  Cd3 Cd 0.62176 0.62176 0.62176 1.00000
  Rh1 Rh 0.12600 0.12600 0.12600 1.00000
  Rh2 Rh 0.87519 0.87519 0.87519 1.00000
  Rh3 Rh 0.37414 0.37414 0.37414 1.00000
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