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Ho6Fe2Bi

Alexandria ALEX

Alex-ID: agm005707522 · Space group: Immm (#71)

Basic Information

Formula
Ho6Fe2Bi
Alex-ID
agm005707522
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
461.38
ų
Cell a
8.4342
Å
Cell b
8.4342
Å
Cell c
8.4342
Å
α angle
107.38
°
β angle
110.87
°
γ angle
110.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Fe2Bi
Ho
12.00 · 66.7%
Fe
4.00 · 22.2%
Bi
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0211
eV/atom
Formation energy
-0.2206
eV/atom
Corrected total energy
-100.5259
eV
Raw total energy
-100.5258
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0068
eV
DOS at Fermi level
13.8006
Total magnetisation
0.7713
μB

Additional Information

Prototype ID

AB2C6_730_spg71

Decomposition

Ho3Fe Ho5FeBi2 HoFe2

Computed at

2023-07-07 01:26:00.021886

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: agm005707522).

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 agm005707522
data_agm005707522
_cell_length_a     8.43420
_cell_length_b     8.43420
_cell_length_c     8.43420
_cell_angle_alpha  107.37774
_cell_angle_beta   110.86828
_cell_angle_gamma  110.18848
_cell_volume       461.38199
_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 0.52752 0.81433 0.71318 1.00000
  Ho2 Ho 0.47248 0.18567 0.28682 1.00000
  Ho3 Ho 0.10115 0.81433 0.28682 1.00000
  Ho4 Ho 0.89885 0.18566 0.71318 1.00000
  Ho5 Ho 0.77718 0.00826 0.23108 1.00000
  Ho6 Ho 0.22282 0.99174 0.76892 1.00000
  Ho7 Ho 0.22282 0.45389 0.23108 1.00000
  Ho8 Ho 0.77718 0.54611 0.76892 1.00000
  Ho9 Ho 0.69643 0.31471 0.01115 1.00000
  Ho10 Ho 0.30357 0.68529 0.98885 1.00000
  Ho11 Ho 0.30357 0.31471 0.61828 1.00000
  Ho12 Ho 0.69643 0.68529 0.38172 1.00000
  Fe1 Fe 0.50000 0.10814 0.60814 1.00000
  Fe2 Fe 0.50000 0.89186 0.39186 1.00000
  Fe3 Fe 0.61186 0.61186 1.00000 1.00000
  Fe4 Fe 0.38814 0.38814 0.00000 1.00000
  Bi1 Bi 0.00000 0.50000 0.50000 1.00000
  Bi2 Bi 0.00000 0.00000 0.00000 1.00000
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