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Dy4HoRh2

Alexandria ALEX

Alex-ID: agm015941250 · Space group: C2/m (#12)

Basic Information

Formula
Dy4HoRh2
Alex-ID
agm015941250
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
181.36
ų
Cell a
6.2911
Å
Cell b
6.2911
Å
Cell c
8.8863
Å
α angle
65.18
°
β angle
114.82
°
γ angle
144.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4HoRh2
Dy
4.00 · 57.1%
Ho
1.00 · 14.3%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0147
eV/atom
Formation energy
-0.5851
eV/atom
Corrected total energy
-41.7917
eV
Raw total energy
-41.7917
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.7722
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_319_spg71

Decomposition

Dy5Rh2 Ho5Rh2

Computed at

2025-04-19 03:28:40

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: agm015941250).

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 agm015941250
data_agm015941250
_cell_length_a     6.29107
_cell_length_b     6.29107
_cell_length_c     8.88627
_cell_angle_alpha  65.18263
_cell_angle_beta   114.81737
_cell_angle_gamma  144.94919
_cell_volume       181.36239
_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 0.11533 0.88467 0.92924 1.00000
  Dy2 Dy 0.88467 0.11533 0.07076 1.00000
  Dy3 Dy 0.33353 0.66647 0.69176 1.00000
  Dy4 Dy 0.66647 0.33353 0.30824 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.67749 0.32251 0.73985 1.00000
  Rh2 Rh 0.32251 0.67749 0.26015 1.00000
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