Navigation

HEAS Data Platform · Materials Science Database

Ho5Fe2

Alexandria ALEX

Alex-ID: agm010060018 · Space group: C2/m (#12)

Basic Information

Formula
Ho5Fe2
Alex-ID
agm010060018
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
175.64
ų
Cell a
6.2165
Å
Cell b
6.2165
Å
Cell c
7.8449
Å
α angle
79.07
°
β angle
79.07
°
γ angle
36.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Fe2
Ho
5.00 · 71.4%
Fe
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0626
eV/atom
Formation energy
0.0160
eV/atom
Corrected total energy
-39.7062
eV
Raw total energy
-39.7062
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0043
eV
DOS at Fermi level
8.2440
Total magnetisation
1.1006
μB

Additional Information

Prototype ID

A2B5_89_spg12

Decomposition

Ho3Fe HoFe2

Computed at

2024-07-09 07:25:41.774181

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: agm010060018).

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 agm010060018
data_agm010060018
_cell_length_a     6.21650
_cell_length_b     6.21650
_cell_length_c     7.84494
_cell_angle_alpha  79.07276
_cell_angle_beta   79.07276
_cell_angle_gamma  36.24511
_cell_volume       175.64305
_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 0.61448 0.61448 0.61818 1.00000
  Ho2 Ho 0.38552 0.38552 0.38182 1.00000
  Ho3 Ho 0.30820 0.30820 0.82109 1.00000
  Ho4 Ho 0.00000 0.00000 0.00000 1.00000
  Ho5 Ho 0.69180 0.69180 0.17891 1.00000
  Fe1 Fe 0.05479 0.05479 0.36355 1.00000
  Fe2 Fe 0.94521 0.94521 0.63645 1.00000
Get direct link