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HoAl4

Alexandria ALEX

Alex-ID: agm005545014 · Space group: Imma (#74)

Basic Information

Formula
HoAl4
Alex-ID
agm005545014
Elements
2
Sites
10
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
188.69
ų
Cell a
4.3999
Å
Cell b
6.2317
Å
Cell c
7.8681
Å
α angle
113.33
°
β angle
106.24
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoAl4
Ho
2.00 · 20.0%
Al
8.00 · 80.0%

Energy & Stability

Energy above hull
0.0154
eV/atom
Formation energy
-0.3258
eV/atom
Corrected total energy
-42.3789
eV
Raw total energy
-42.3789
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.0862
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_112_spg74

Decomposition

HoAl3 Al

Computed at

2023-05-28 22:10:16.589696

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: agm005545014).

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 agm005545014
data_agm005545014
_cell_length_a     4.39993
_cell_length_b     6.23173
_cell_length_c     7.86809
_cell_angle_alpha  113.32916
_cell_angle_beta   106.23668
_cell_angle_gamma  89.99999
_cell_volume       188.69152
_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 0.88850 0.13850 0.77700 1.00000
  Ho2 Ho 0.11150 0.86150 0.22300 1.00000
  Al1 Al 0.11119 0.36119 0.22237 1.00000
  Al2 Al 0.88881 0.63881 0.77763 1.00000
  Al3 Al 0.50000 0.00000 0.00000 1.00000
  Al4 Al 0.50000 0.50000 0.00000 1.00000
  Al5 Al 0.69764 0.22968 0.39528 1.00000
  Al6 Al 0.30236 0.77032 0.60472 1.00000
  Al7 Al 0.30236 0.33439 0.60472 1.00000
  Al8 Al 0.69764 0.66561 0.39528 1.00000
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