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HoSiRh2

Alexandria ALEX

Alex-ID: agm005776933 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
HoSiRh2
Alex-ID
agm005776933
Elements
3
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
142.22
ų
Cell a
4.0012
Å
Cell b
4.0731
Å
Cell c
8.9613
Å
α angle
103.14
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoSiRh2
Ho
2.00 · 25.0%
Si
2.00 · 25.0%
Rh
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0936
eV/atom
Formation energy
-0.9427
eV/atom
Corrected total energy
-56.9503
eV
Raw total energy
-56.9503
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0319
eV
DOS at Fermi level
2.5299
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_645_spg65

Decomposition

Ho3Si2Rh5 HoSi2Rh3

Computed at

2023-07-13 12:42:15.063212

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: agm005776933).

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 agm005776933
data_agm005776933
_cell_length_a     4.00122
_cell_length_b     4.07313
_cell_length_c     8.96127
_cell_angle_alpha  103.13598
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       142.22473
_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 0.85385 0.70769 1.00000
  Ho2 Ho 0.00000 0.14615 0.29231 1.00000
  Si1 Si 0.50000 0.57708 0.15415 1.00000
  Si2 Si 0.50000 0.42292 0.84585 1.00000
  Rh1 Rh 0.00000 0.50000 0.00000 1.00000
  Rh2 Rh 0.50000 0.00000 0.00000 1.00000
  Rh3 Rh 0.50000 0.70753 0.41505 1.00000
  Rh4 Rh 0.50000 0.29247 0.58495 1.00000
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