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Ho4FeSn

Alexandria ALEX

Alex-ID: agm005805488 · Space group: C2/c (#15)

Basic Information

Formula
Ho4FeSn
Alex-ID
agm005805488
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
318.25
ų
Cell a
5.9583
Å
Cell b
7.8542
Å
Cell c
7.8542
Å
α angle
113.26
°
β angle
100.60
°
γ angle
100.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4FeSn
Ho
8.00 · 66.7%
Fe
2.00 · 16.7%
Sn
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0427
eV/atom
Formation energy
-0.3038
eV/atom
Corrected total energy
-65.2053
eV
Raw total energy
-65.2053
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0088
eV
DOS at Fermi level
10.7429
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC4_1218_spg15

Decomposition

Ho3Fe HoFe2 Ho5Sn3

Computed at

2023-07-28 06:27:30.788370

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: agm005805488).

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 agm005805488
data_agm005805488
_cell_length_a     5.95830
_cell_length_b     7.85424
_cell_length_c     7.85425
_cell_angle_alpha  113.25829
_cell_angle_beta   100.59857
_cell_angle_gamma  100.59855
_cell_volume       318.25438
_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 0.87182 0.64798 0.79239 1.00000
  Ho2 Ho 0.05134 0.94554 0.27009 1.00000
  Ho3 Ho 0.62818 0.20761 0.35202 1.00000
  Ho4 Ho 0.44866 0.72991 0.05446 1.00000
  Ho5 Ho 0.55134 0.27009 0.94554 1.00000
  Ho6 Ho 0.37182 0.79239 0.64798 1.00000
  Ho7 Ho 0.94866 0.05446 0.72991 1.00000
  Ho8 Ho 0.12818 0.35202 0.20761 1.00000
  Fe1 Fe 0.25000 0.00023 0.99977 1.00000
  Fe2 Fe 0.75000 0.99977 0.00023 1.00000
  Sn1 Sn 0.75000 0.62870 0.37130 1.00000
  Sn2 Sn 0.25000 0.37130 0.62870 1.00000
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