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DyHo4Rh5

Alexandria ALEX

Alex-ID: agm060166477 · Space group: R-3m (#166)

Basic Information

Formula
DyHo4Rh5
Alex-ID
agm060166477
Elements
3
Sites
10
Space group
R-3m (#166)
Crystal system
trigonal
Volume
198.83
ų
Cell a
10.2398
Å
Cell b
10.2398
Å
Cell c
10.2398
Å
α angle
27.27
°
β angle
27.27
°
γ angle
27.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyHo4Rh5
Dy
1.00 · 10.0%
Ho
4.00 · 40.0%
Rh
5.00 · 50.0%

Energy & Stability

Energy above hull
0.0033
eV/atom
Formation energy
-0.8999
eV/atom
Corrected total energy
-68.6740
eV
Raw total energy
-68.6740
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0608
eV
DOS at Fermi level
4.3600
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_122_spg8

Decomposition

DyHo4Rh5

Computed at

2024-11-29 23:42:59.637239

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: agm060166477).

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 agm060166477
data_agm060166477
_cell_length_a     10.23978
_cell_length_b     10.23978
_cell_length_c     10.23978
_cell_angle_alpha  27.26645
_cell_angle_beta   27.26645
_cell_angle_gamma  27.26645
_cell_volume       198.83386
_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 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.19992 0.19992 0.19992 1.00000
  Ho2 Ho 0.40020 0.40020 0.40020 1.00000
  Ho3 Ho 0.59980 0.59980 0.59980 1.00000
  Ho4 Ho 0.80008 0.80008 0.80008 1.00000
  Rh1 Rh 0.89986 0.89986 0.89986 1.00000
  Rh2 Rh 0.10014 0.10014 0.10014 1.00000
  Rh3 Rh 0.29978 0.29978 0.29978 1.00000
  Rh4 Rh 0.50000 0.50000 0.50000 1.00000
  Rh5 Rh 0.70022 0.70022 0.70022 1.00000
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