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Dy4Cu2Rh

Alexandria ALEX

Alex-ID: agm005992212 · Space group: R-3m (#166)

Basic Information

Formula
Dy4Cu2Rh
Alex-ID
agm005992212
Elements
3
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
162.74
ų
Cell a
4.8760
Å
Cell b
4.8760
Å
Cell c
8.3902
Å
α angle
73.11
°
β angle
73.11
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Cu2Rh
Rh
1.00 · 14.3%
Cu
2.00 · 28.6%
Dy
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1252
eV/atom
Formation energy
-0.2996
eV/atom
Corrected total energy
-36.1835
eV
Raw total energy
-36.1835
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.4550
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_118_spg166

Decomposition

Dy5Rh3 Dy7Rh3 DyCu

Computed at

2023-09-14 21:33:00

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: agm005992212).

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 agm005992212
data_agm005992212
_cell_length_a     4.87599
_cell_length_b     4.87599
_cell_length_c     8.39019
_cell_angle_alpha  73.10750
_cell_angle_beta   73.10750
_cell_angle_gamma  60.00000
_cell_volume       162.73943
_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
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Cu1 Cu 0.75076 0.75076 0.74771 1.00000
  Cu2 Cu 0.24924 0.24924 0.25229 1.00000
  Dy1 Dy 0.87599 0.87599 0.37204 1.00000
  Dy2 Dy 0.12401 0.12401 0.62796 1.00000
  Dy3 Dy 0.62511 0.62511 0.12466 1.00000
  Dy4 Dy 0.37489 0.37489 0.87534 1.00000
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