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Ho5Rh6

Alexandria ALEX

Alex-ID: agm005538020 · Space group: Immm (#71)

Basic Information

Formula
Ho5Rh6
Alex-ID
agm005538020
Elements
2
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
223.99
ų
Cell a
4.6189
Å
Cell b
6.9275
Å
Cell c
8.1348
Å
α angle
115.20
°
β angle
106.24
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Rh6
Ho
5.00 · 45.5%
Rh
6.00 · 54.5%

Energy & Stability

Energy above hull
0.1561
eV/atom
Formation energy
-0.7034
eV/atom
Corrected total energy
-74.7390
eV
Raw total energy
-74.7390
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4932
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B6_93_spg71

Decomposition

HoRh2 HoRh

Computed at

2023-05-29 12:12:55.789069

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: agm005538020).

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 agm005538020
data_agm005538020
_cell_length_a     4.61887
_cell_length_b     6.92754
_cell_length_c     8.13480
_cell_angle_alpha  115.20157
_cell_angle_beta   106.23905
_cell_angle_gamma  90.00159
_cell_volume       223.98517
_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
  Ho1 Ho 0.00000 0.50000 0.00000 1.00000
  Ho2 Ho 0.67684 0.67748 0.35494 1.00000
  Ho3 Ho 0.32316 0.32252 0.64506 1.00000
  Ho4 Ho 0.35890 0.86056 0.72114 1.00000
  Ho5 Ho 0.64110 0.13944 0.27886 1.00000
  Rh1 Rh 0.50001 0.72154 1.00000 1.00000
  Rh2 Rh 0.49999 0.27846 0.00000 1.00000
  Rh3 Rh 0.83200 0.09033 0.66403 1.00000
  Rh4 Rh 0.83202 0.57368 0.66399 1.00000
  Rh5 Rh 0.16800 0.90967 0.33597 1.00000
  Rh6 Rh 0.16798 0.42632 0.33601 1.00000
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