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Ho6BiRh2

Alexandria ALEX

Alex-ID: agm005807569 · Space group: Immm (#71)

Basic Information

Formula
Ho6BiRh2
Alex-ID
agm005807569
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
476.41
ų
Cell a
8.5404
Å
Cell b
8.5404
Å
Cell c
8.5404
Å
α angle
104.43
°
β angle
110.55
°
γ angle
113.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6BiRh2
Ho
12.00 · 66.7%
Bi
2.00 · 11.1%
Rh
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0542
eV/atom
Formation energy
-0.6223
eV/atom
Corrected total energy
-103.3115
eV
Raw total energy
-103.3114
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0139
eV
DOS at Fermi level
16.9293
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1783_spg71

Decomposition

Ho5Bi2Rh Ho7Rh3

Computed at

2023-07-09 06:57:46.789911

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: agm005807569).

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 agm005807569
data_agm005807569
_cell_length_a     8.54037
_cell_length_b     8.54037
_cell_length_c     8.54037
_cell_angle_alpha  104.43038
_cell_angle_beta   110.55096
_cell_angle_gamma  113.56294
_cell_volume       476.40839
_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 0.52610 0.70645 0.81964 1.00000
  Ho2 Ho 0.47390 0.29355 0.18036 1.00000
  Ho3 Ho 0.11319 0.29355 0.81964 1.00000
  Ho4 Ho 0.88681 0.70645 0.18036 1.00000
  Ho5 Ho 0.79160 0.76559 0.55719 1.00000
  Ho6 Ho 0.20840 0.23441 0.44281 1.00000
  Ho7 Ho 0.20840 0.76559 0.97399 1.00000
  Ho8 Ho 0.79160 0.23441 0.02601 1.00000
  Ho9 Ho 0.68985 0.35947 0.66962 1.00000
  Ho10 Ho 0.31015 0.64053 0.33038 1.00000
  Ho11 Ho 0.31015 0.97976 0.66962 1.00000
  Ho12 Ho 0.68985 0.02024 0.33038 1.00000
  Bi1 Bi 0.00000 0.50000 0.50000 1.00000
  Bi2 Bi 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.50000 0.36574 0.86574 1.00000
  Rh2 Rh 0.50000 0.63426 0.13426 1.00000
  Rh3 Rh 0.66189 1.00000 0.66189 1.00000
  Rh4 Rh 0.33811 0.00000 0.33811 1.00000
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