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Ho(FeSn2)4

Alexandria ALEX

Alex-ID: agm003671928 · Space group: I4/mmm (#139)

Basic Information

Formula
Ho(FeSn2)4
Alex-ID
agm003671928
Elements
3
Sites
13
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
267.70
ų
Cell a
5.6417
Å
Cell b
7.4436
Å
Cell c
7.4436
Å
α angle
81.74
°
β angle
67.73
°
γ angle
67.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(FeSn2)4
Ho
1.00 · 7.7%
Fe
4.00 · 30.8%
Sn
8.00 · 61.5%

Energy & Stability

Energy above hull
0.2537
eV/atom
Formation energy
0.1176
eV/atom
Corrected total energy
-68.9237
eV
Raw total energy
-68.9237
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
9.2781
Total magnetisation
8.8299
μB

Additional Information

Prototype ID

AB4C8_2_spg139

Decomposition

FeSn HoSn3 Sn

Computed at

2022-04-20 21:34:41.245735

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: agm003671928).

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 agm003671928
data_agm003671928
_cell_length_a     5.64169
_cell_length_b     7.44360
_cell_length_c     7.44360
_cell_angle_alpha  81.74307
_cell_angle_beta   67.73059
_cell_angle_gamma  67.73059
_cell_volume       267.69809
_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 0.00000 0.00000 0.00000 1.00000
  Fe1 Fe 0.00000 0.00000 0.50000 1.00000
  Fe2 Fe 0.50000 0.00000 0.50000 1.00000
  Fe3 Fe 0.00000 0.50000 0.00000 1.00000
  Fe4 Fe 0.50000 0.50000 0.00000 1.00000
  Sn1 Sn 0.00000 0.33359 0.66641 1.00000
  Sn2 Sn 1.00000 0.66641 0.33359 1.00000
  Sn3 Sn 0.33359 0.66641 0.66641 1.00000
  Sn4 Sn 0.66641 0.33359 0.33359 1.00000
  Sn5 Sn 0.50000 0.78646 0.21354 1.00000
  Sn6 Sn 0.50000 0.21354 0.78646 1.00000
  Sn7 Sn 0.28646 0.21354 0.21354 1.00000
  Sn8 Sn 0.71354 0.78646 0.78646 1.00000
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