Navigation

HEAS Data Platform · Materials Science Database

Dy2Cd3Rh2

Alexandria ALEX

Alex-ID: agm008772149 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Cd3Rh2
Alex-ID
agm008772149
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
149.88
ų
Cell a
5.3668
Å
Cell b
5.3668
Å
Cell c
7.4139
Å
α angle
72.62
°
β angle
72.62
°
γ angle
47.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Cd3Rh2
Dy
2.00 · 28.6%
Cd
3.00 · 42.9%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0087
eV/atom
Formation energy
-0.5301
eV/atom
Corrected total energy
-30.3915
eV
Raw total energy
-30.3915
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0301
eV
DOS at Fermi level
4.2106
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_252_spg12

Decomposition

DyCdRh Dy11Cd45 Dy(Cd10Rh)2

Computed at

2024-05-15 12:16:00.840958

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: agm008772149).

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 agm008772149
data_agm008772149
_cell_length_a     5.36676
_cell_length_b     5.36676
_cell_length_c     7.41395
_cell_angle_alpha  72.62306
_cell_angle_beta   72.62306
_cell_angle_gamma  47.96051
_cell_volume       149.87917
_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 0.85294 0.85294 0.79360 1.00000
  Dy2 Dy 0.14706 0.14706 0.20640 1.00000
  Cd1 Cd 0.50000 0.50000 0.00000 1.00000
  Cd2 Cd 0.63135 0.63135 0.55509 1.00000
  Cd3 Cd 0.36865 0.36865 0.44491 1.00000
  Rh1 Rh 0.84822 0.84822 0.18954 1.00000
  Rh2 Rh 0.15178 0.15178 0.81046 1.00000
Get direct link