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Ho6Al3Co5Si

Alexandria ALEX

Alex-ID: agm010590650 · Space group: P-6m2 (#187)

Basic Information

Formula
Ho6Al3Co5Si
Alex-ID
agm010590650
Elements
4
Sites
15
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
283.76
ų
Cell a
9.0084
Å
Cell b
9.0084
Å
Cell c
4.0376
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Al3Co5Si
Ho
6.00 · 40.0%
Al
3.00 · 20.0%
Co
5.00 · 33.3%
Si
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0207
eV/atom
Formation energy
-0.4614
eV/atom
Corrected total energy
-86.6702
eV
Raw total energy
-86.6702
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
16.7869
Total magnetisation
-0.0005
μB

Additional Information

Prototype ID

AB3C5D6_5_spg187

Decomposition

HoAlCo HoCoSi Ho5Si3 Ho2AlCo2

Computed at

2024-12-02 19:30:11

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: agm010590650).

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 agm010590650
data_agm010590650
_cell_length_a     9.00840
_cell_length_b     9.00840
_cell_length_c     4.03758
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       283.75782
_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 0.70047 0.85024 0.50000 1.00000
  Ho2 Ho 0.14976 0.85024 0.50000 1.00000
  Ho3 Ho 0.14976 0.29953 0.50000 1.00000
  Ho4 Ho 0.40809 0.20405 0.00000 1.00000
  Ho5 Ho 0.79595 0.20405 0.00000 1.00000
  Ho6 Ho 0.79595 0.59191 0.00000 1.00000
  Al1 Al 0.13241 0.56621 0.00000 1.00000
  Al2 Al 0.43379 0.56621 0.00000 1.00000
  Al3 Al 0.43379 0.86759 0.00000 1.00000
  Co1 Co 0.33333 0.66667 0.50000 1.00000
  Co2 Co 0.95980 0.47990 0.50000 1.00000
  Co3 Co 0.52010 0.47990 0.50000 1.00000
  Co4 Co 0.52010 0.04020 0.50000 1.00000
  Co5 Co 0.66667 0.33333 0.50000 1.00000
  Si1 Si 0.00000 0.00000 0.00000 1.00000
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