Navigation

HEAS Data Platform · Materials Science Database

Hf4In8Sn

Alexandria ALEX

Alex-ID: agm097628405 · Space group: P1 (#1)

Basic Information

Formula
Hf4In8Sn
Alex-ID
agm097628405
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
315.42
ų
Cell a
5.5093
Å
Cell b
8.5059
Å
Cell c
8.1641
Å
α angle
119.83
°
β angle
102.61
°
γ angle
94.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Hf4In8Sn
Hf
4.00 · 30.8%
In
8.00 · 61.5%
Sn
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1544
eV/atom
Formation energy
-0.0035
eV/atom
Corrected total energy
-66.0195
eV
Raw total energy
-66.0195
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0739
eV
DOS at Fermi level
6.7583
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_724_spg8

Decomposition

Hf2In5 Hf5Sn4 In

Computed at

2025-06-16 03:44:48

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: agm097628405).

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 agm097628405
data_agm097628405
_cell_length_a     5.50931
_cell_length_b     8.50587
_cell_length_c     8.16408
_cell_angle_alpha  119.83214
_cell_angle_beta   102.60544
_cell_angle_gamma  94.79901
_cell_volume       315.42436
_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
  Hf1 Hf 0.03623 0.89841 0.01087 1.00000
  Hf2 Hf 0.04093 0.62005 0.15176 1.00000
  Hf3 Hf 0.00212 0.31463 0.27243 1.00000
  Hf4 Hf 0.05161 0.05993 0.44236 1.00000
  In1 In 0.05806 0.18866 0.86925 1.00000
  In2 In 0.03989 0.48317 0.71417 1.00000
  In3 In 0.54461 0.91104 0.51139 1.00000
  In4 In 0.52295 0.19943 0.37014 1.00000
  In5 In 0.03991 0.74866 0.57013 1.00000
  In6 In 0.55249 0.33692 0.81106 1.00000
  In7 In 0.52232 0.48261 0.25287 1.00000
  In8 In 0.54894 0.75187 0.08652 1.00000
  Sn1 Sn 0.53992 0.00463 0.93704 1.00000
Get direct link