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HoFeSb2

Alexandria ALEX

Alex-ID: agm002274396 · Space group: P4/nmm (#129)

Basic Information

Formula
HoFeSb2
Alex-ID
agm002274396
Elements
3
Sites
8
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
174.93
ų
Cell a
4.3089
Å
Cell b
4.3089
Å
Cell c
9.4216
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoFeSb2
Sb
4.00 · 50.0%
Ho
2.00 · 25.0%
Fe
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0861
eV/atom
Formation energy
-0.4813
eV/atom
Corrected total energy
-46.4223
eV
Raw total energy
-46.4223
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
4.1075
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_166_spg129

Decomposition

FeSb2 Fe HoSb

Computed at

2018-12-31 05:48:56

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: agm002274396).

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 agm002274396
data_agm002274396
_cell_length_a     4.30891
_cell_length_b     4.30891
_cell_length_c     9.42164
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       174.92848
_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
  Sb1 Sb 0.25000 0.25000 0.14334 1.00000
  Sb2 Sb 0.75000 0.75000 0.85666 1.00000
  Sb3 Sb 0.75000 0.25000 0.50000 1.00000
  Sb4 Sb 0.25000 0.75000 0.50000 1.00000
  Ho1 Ho 0.75000 0.75000 0.23729 1.00000
  Ho2 Ho 0.25000 0.25000 0.76271 1.00000
  Fe1 Fe 0.25000 0.75000 0.00000 1.00000
  Fe2 Fe 0.75000 0.25000 0.00000 1.00000
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