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Ho8Al4Ni

Alexandria ALEX

Alex-ID: agm097809281 · Space group: P1 (#1)

Basic Information

Formula
Ho8Al4Ni
Alex-ID
agm097809281
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
328.69
ų
Cell a
3.6718
Å
Cell b
10.3691
Å
Cell c
9.8358
Å
α angle
61.39
°
β angle
88.89
°
γ angle
89.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Al4Ni
Ho
8.00 · 61.5%
Al
4.00 · 30.8%
Ni
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1408
eV/atom
Formation energy
-0.2124
eV/atom
Corrected total energy
-60.1551
eV
Raw total energy
-60.1551
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0484
eV
DOS at Fermi level
12.3588
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1385_spg5

Decomposition

HoAl Ho2Al Ho4AlNi

Computed at

2025-06-02 08:20:49

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: agm097809281).

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 agm097809281
data_agm097809281
_cell_length_a     3.67177
_cell_length_b     10.36915
_cell_length_c     9.83581
_cell_angle_alpha  61.39030
_cell_angle_beta   88.89136
_cell_angle_gamma  89.33653
_cell_volume       328.69427
_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 0.69624 0.14590 0.17347 1.00000
  Ho2 Ho 0.67041 0.62942 0.21670 1.00000
  Ho3 Ho 0.69621 0.69745 0.63146 1.00000
  Ho4 Ho 0.68906 0.17446 0.65350 1.00000
  Ho5 Ho 0.18503 0.84077 0.30552 1.00000
  Ho6 Ho 0.19742 0.33871 0.30292 1.00000
  Ho7 Ho 0.25539 0.38128 0.84466 1.00000
  Ho8 Ho 0.19572 0.81091 0.87047 1.00000
  Al1 Al 0.17773 0.06902 0.94885 1.00000
  Al2 Al 0.73493 0.51206 0.99370 1.00000
  Al3 Al 0.13170 0.49132 0.51121 1.00000
  Al4 Al 0.18911 0.00069 0.50399 1.00000
  Ni1 Ni 0.68105 0.90802 0.04355 1.00000
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