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Ho6AlIn5

Alexandria ALEX

Alex-ID: agm006115552 · Space group: Cmmm (#65)

Basic Information

Formula
Ho6AlIn5
Alex-ID
agm006115552
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
308.84
ų
Cell a
5.2654
Å
Cell b
7.4282
Å
Cell c
8.3236
Å
α angle
90.00
°
β angle
71.56
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6AlIn5
Al
1.00 · 8.3%
Ho
6.00 · 50.0%
In
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0145
eV/atom
Formation energy
-0.4238
eV/atom
Corrected total energy
-50.1508
eV
Raw total energy
-50.1508
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0136
eV
DOS at Fermi level
5.1934
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_95_spg12

Decomposition

Ho5In4 HoAl2 HoIn

Computed at

2023-09-16 00:48:26.730695

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: agm006115552).

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 agm006115552
data_agm006115552
_cell_length_a     5.26541
_cell_length_b     7.42821
_cell_length_c     8.32357
_cell_angle_alpha  89.99558
_cell_angle_beta   71.56098
_cell_angle_gamma  89.98601
_cell_volume       308.84269
_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
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.83624 0.75268 0.32756 1.00000
  Ho2 Ho 0.83621 0.24732 0.32756 1.00000
  Ho3 Ho 0.50001 0.24446 1.00000 1.00000
  Ho4 Ho 0.49999 0.75554 0.00000 1.00000
  Ho5 Ho 0.16379 0.75268 0.67244 1.00000
  Ho6 Ho 0.16376 0.24732 0.67244 1.00000
  In1 In 0.66790 0.50000 0.66419 1.00000
  In2 In 0.33202 1.00000 0.33597 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  In4 In 0.66798 0.00000 0.66403 1.00000
  In5 In 0.33210 0.50000 0.33581 1.00000
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