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Ho3Ru2Rh7

Alexandria ALEX

Alex-ID: agm024492637 · Space group: C2/m (#12)

Basic Information

Formula
Ho3Ru2Rh7
Alex-ID
agm024492637
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
209.54
ų
Cell a
5.2512
Å
Cell b
5.2512
Å
Cell c
9.3291
Å
α angle
71.79
°
β angle
108.21
°
γ angle
119.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Ru2Rh7
Ho
3.00 · 25.0%
Ru
2.00 · 16.7%
Rh
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0950
eV/atom
Formation energy
-0.4806
eV/atom
Corrected total energy
-89.5148
eV
Raw total energy
-89.5148
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0221
eV
DOS at Fermi level
9.7880
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_69_spg12

Decomposition

HoRh3 HoRh2 Ru

Computed at

2025-05-17 11:17:35

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: agm024492637).

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 agm024492637
data_agm024492637
_cell_length_a     5.25120
_cell_length_b     5.25120
_cell_length_c     9.32906
_cell_angle_alpha  71.78861
_cell_angle_beta   108.21139
_cell_angle_gamma  119.07183
_cell_volume       209.53991
_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 0.00000 0.00000 1.00000
  Ho2 Ho 0.14156 0.85844 0.41463 1.00000
  Ho3 Ho 0.85844 0.14156 0.58537 1.00000
  Ru1 Ru 0.36327 0.63673 0.00095 1.00000
  Ru2 Ru 0.63673 0.36327 0.99905 1.00000
  Rh1 Rh 0.50000 0.50000 0.50000 1.00000
  Rh2 Rh 0.08733 0.41799 0.23343 1.00000
  Rh3 Rh 0.58201 0.91267 0.23343 1.00000
  Rh4 Rh 0.60191 0.39809 0.26954 1.00000
  Rh5 Rh 0.91267 0.58201 0.76657 1.00000
  Rh6 Rh 0.39809 0.60191 0.73046 1.00000
  Rh7 Rh 0.41799 0.08733 0.76657 1.00000
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