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Dy5CuRh4

Alexandria ALEX

Alex-ID: agm063392273 · Space group: Cmmm (#65)

Basic Information

Formula
Dy5CuRh4
Alex-ID
agm063392273
Elements
3
Sites
10
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
203.08
ų
Cell a
12.4648
Å
Cell b
12.4648
Å
Cell c
3.3880
Å
α angle
90.00
°
β angle
90.00
°
γ angle
157.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5CuRh4
Dy
5.00 · 50.0%
Cu
1.00 · 10.0%
Rh
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0127
eV/atom
Formation energy
-0.7420
eV/atom
Corrected total energy
-64.0046
eV
Raw total energy
-64.0046
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
5.7463
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_457_spg12

Decomposition

Dy2CuRh DyRh

Computed at

2025-02-27 04:54:15

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: agm063392273).

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 agm063392273
data_agm063392273
_cell_length_a     12.46480
_cell_length_b     12.46480
_cell_length_c     3.38796
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  157.30695
_cell_volume       203.07861
_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 0.89860 0.10140 0.00000 1.00000
  Dy2 Dy 0.69984 0.30016 0.00000 1.00000
  Dy3 Dy 0.30016 0.69984 0.00000 1.00000
  Dy4 Dy 0.50000 0.50000 0.00000 1.00000
  Dy5 Dy 0.10140 0.89860 0.00000 1.00000
  Cu1 Cu 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.60052 0.39948 0.50000 1.00000
  Rh2 Rh 0.20039 0.79961 0.50000 1.00000
  Rh3 Rh 0.79961 0.20039 0.50000 1.00000
  Rh4 Rh 0.39948 0.60052 0.50000 1.00000
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