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Dy4Rh

Alexandria ALEX

Alex-ID: agm005508292 · Space group: Fd-3m (#227)

Basic Information

Formula
Dy4Rh
Alex-ID
agm005508292
Elements
2
Sites
10
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
309.57
ų
Cell a
7.5932
Å
Cell b
7.5932
Å
Cell c
7.5932
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Rh
Dy
8.00 · 80.0%
Rh
2.00 · 20.0%

Energy & Stability

Energy above hull
0.4978
eV/atom
Formation energy
0.0759
eV/atom
Corrected total energy
-50.7742
eV
Raw total energy
-50.7742
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
12.7152
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

AB4_270_spg227

Decomposition

Dy3Rh Dy

Computed at

2023-03-20 12:36:19.420735

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: agm005508292).

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 agm005508292
data_agm005508292
_cell_length_a     7.59319
_cell_length_b     7.59319
_cell_length_c     7.59319
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       309.56876
_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 0.38892 0.38892 0.38892 1.00000
  Dy2 Dy 0.83323 0.38892 0.38892 1.00000
  Dy3 Dy 0.38892 0.38892 0.83323 1.00000
  Dy4 Dy 0.41677 0.86108 0.86108 1.00000
  Dy5 Dy 0.86108 0.86108 0.86108 1.00000
  Dy6 Dy 0.38892 0.83323 0.38892 1.00000
  Dy7 Dy 0.86108 0.86108 0.41677 1.00000
  Dy8 Dy 0.86108 0.41677 0.86108 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.25000 0.25000 0.25000 1.00000
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