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Ho4AlIn2

Alexandria ALEX

Alex-ID: agm003449243 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Ho4AlIn2
Alex-ID
agm003449243
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
207.83
ų
Cell a
5.6284
Å
Cell b
5.6284
Å
Cell c
7.6732
Å
α angle
111.52
°
β angle
111.52
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4AlIn2
Ho
4.00 · 57.1%
Al
1.00 · 14.3%
In
2.00 · 28.6%

Energy & Stability

Energy above hull
0.4174
eV/atom
Formation energy
0.0175
eV/atom
Corrected total energy
-27.4761
eV
Raw total energy
-27.4761
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9656
Total magnetisation
-0.0005
μB

Additional Information

Prototype ID

AB2C4_929_spg139

Decomposition

Ho5In3 HoAl HoAl2

Computed at

2022-02-16 00:29:32.670708

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: agm003449243).

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 agm003449243
data_agm003449243
_cell_length_a     5.62844
_cell_length_b     5.62844
_cell_length_c     7.67316
_cell_angle_alpha  111.51603
_cell_angle_beta   111.51603
_cell_angle_gamma  90.00000
_cell_volume       207.82611
_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 0.75000 0.25000 0.50000 1.00000
  Ho2 Ho 0.25000 0.75000 0.50000 1.00000
  Ho3 Ho 0.50000 0.00000 0.00000 1.00000
  Ho4 Ho 0.00000 0.50000 0.00000 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  In1 In 0.62511 0.62511 0.25023 1.00000
  In2 In 0.37489 0.37489 0.74977 1.00000
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