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Ho8Bi2Rh3

Alexandria ALEX

Alex-ID: agm005643871 · Space group: Cmmm (#65)

Basic Information

Formula
Ho8Bi2Rh3
Alex-ID
agm005643871
Elements
3
Sites
13
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
360.88
ų
Cell a
4.8354
Å
Cell b
9.7592
Å
Cell c
9.0691
Å
α angle
122.52
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Bi2Rh3
Ho
8.00 · 61.5%
Bi
2.00 · 15.4%
Rh
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1389
eV/atom
Formation energy
-0.6153
eV/atom
Corrected total energy
-74.4434
eV
Raw total energy
-74.4433
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.8805
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_378_spg65

Decomposition

Ho5Bi2Rh Ho5Rh3 HoBi

Computed at

2023-06-16 06:50:03.489108

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: agm005643871).

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 agm005643871
data_agm005643871
_cell_length_a     4.83537
_cell_length_b     9.75925
_cell_length_c     9.06906
_cell_angle_alpha  122.51566
_cell_angle_beta   90.00048
_cell_angle_gamma  89.99999
_cell_volume       360.87924
_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 1.00000 0.60649 0.21269 1.00000
  Ho2 Ho 0.00000 0.39351 0.78731 1.00000
  Ho3 Ho 1.00000 0.11034 0.22045 1.00000
  Ho4 Ho 0.00000 0.88966 0.77955 1.00000
  Ho5 Ho 0.50000 0.64515 0.78404 1.00000
  Ho6 Ho 0.50000 0.13816 0.78306 1.00000
  Ho7 Ho 0.50000 0.86184 0.21694 1.00000
  Ho8 Ho 0.50000 0.35485 0.21596 1.00000
  Bi1 Bi 0.50000 0.25576 0.51061 1.00000
  Bi2 Bi 0.50000 0.74424 0.48939 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
  Rh2 Rh 0.00000 0.24735 0.99974 1.00000
  Rh3 Rh 1.00000 0.75265 0.00026 1.00000
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