Navigation

HEAS Data Platform · Materials Science Database

HoAlNi

Alexandria ALEX

Alex-ID: agm005243755 · Space group: Amm2 (#38)

Basic Information

Formula
HoAlNi
Alex-ID
agm005243755
Elements
3
Sites
12
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
209.19
ų
Cell a
5.3375
Å
Cell b
5.3375
Å
Cell c
8.4381
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoAlNi
Ho
4.00 · 33.3%
Al
4.00 · 33.3%
Ni
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0875
eV/atom
Formation energy
-0.5255
eV/atom
Corrected total energy
-62.7383
eV
Raw total energy
-62.7383
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1185
eV
DOS at Fermi level
7.1674
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_47_spg38

Decomposition

HoAlNi

Computed at

2023-04-21 12:14:44.939328

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: agm005243755).

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 agm005243755
data_agm005243755
_cell_length_a     5.33752
_cell_length_b     5.33752
_cell_length_c     8.43808
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.51862
_cell_volume       209.18939
_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 0.33329 0.66671 0.20587 1.00000
  Ho2 Ho 0.67018 0.32982 0.32347 1.00000
  Ho3 Ho 0.67018 0.32982 0.67653 1.00000
  Ho4 Ho 0.33329 0.66671 0.79413 1.00000
  Al1 Al 0.99578 0.00422 0.26114 1.00000
  Al2 Al 0.99578 0.00422 0.73886 1.00000
  Al3 Al 0.83226 0.65867 0.00000 1.00000
  Al4 Al 0.34133 0.16774 0.00000 1.00000
  Ni1 Ni 0.83264 0.16736 0.00000 1.00000
  Ni2 Ni 0.16830 0.33783 0.50000 1.00000
  Ni3 Ni 0.66217 0.83170 0.50000 1.00000
  Ni4 Ni 0.16479 0.83521 0.50000 1.00000
Get direct link