Navigation

HEAS Data Platform · Materials Science Database

Ho5(FeSn)2

Alexandria ALEX

Alex-ID: agm011815175 · Space group: Cmce (#64)

Basic Information

Formula
Ho5(FeSn)2
Alex-ID
agm011815175
Elements
3
Sites
18
Space group
Cmce (#64)
Crystal system
orthorhombic
Volume
449.08
ų
Cell a
8.7739
Å
Cell b
8.7739
Å
Cell c
7.1903
Å
α angle
90.00
°
β angle
90.00
°
γ angle
125.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5(FeSn)2
Ho
10.00 · 55.6%
Fe
4.00 · 22.2%
Sn
4.00 · 22.2%

Energy & Stability

Energy above hull
0.1970
eV/atom
Formation energy
-0.2630
eV/atom
Corrected total energy
-100.3820
eV
Raw total energy
-100.3820
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
18.5414
Total magnetisation
5.0126
μB

Additional Information

Prototype ID

A2B2C5_258_spg64

Decomposition

Ho3Fe HoFe2 Ho5Sn3

Computed at

2024-06-24 11:56:26.307237

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: agm011815175).

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 agm011815175
data_agm011815175
_cell_length_a     8.77394
_cell_length_b     8.77394
_cell_length_c     7.19030
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  125.77618
_cell_volume       449.07739
_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 0.50000 0.50000 0.50000 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.30752 0.06243 0.66978 1.00000
  Ho4 Ho 0.93757 0.69248 0.33022 1.00000
  Ho5 Ho 0.43757 0.19248 0.16978 1.00000
  Ho6 Ho 0.80752 0.56243 0.83022 1.00000
  Ho7 Ho 0.69248 0.93757 0.33022 1.00000
  Ho8 Ho 0.06243 0.30752 0.66978 1.00000
  Ho9 Ho 0.56243 0.80752 0.83022 1.00000
  Ho10 Ho 0.19248 0.43757 0.16978 1.00000
  Fe1 Fe 0.40206 0.40206 0.88960 1.00000
  Fe2 Fe 0.59794 0.59794 0.11040 1.00000
  Fe3 Fe 0.09794 0.09794 0.38960 1.00000
  Fe4 Fe 0.90206 0.90206 0.61040 1.00000
  Sn1 Sn 0.71910 0.28090 0.50000 1.00000
  Sn2 Sn 0.21910 0.78090 0.00000 1.00000
  Sn3 Sn 0.28090 0.71910 0.50000 1.00000
  Sn4 Sn 0.78090 0.21910 0.00000 1.00000
Get direct link