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HEAS Data Platform · Materials Science Database

Ho6Al3Ni4SnOs

Alexandria ALEX

Alex-ID: agm010608024 · Space group: P-6m2 (#187)

Alexandria Database API

Basic Information

Formula
Ho6Al3Ni4SnOs
Alex-ID
agm010608024
Elements
5
Sites
15
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
304.73
ų
Cell a
9.2588
Å
Cell b
9.2588
Å
Cell c
4.1047
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Al3Ni4SnOs
Ho
6.00 · 40.0%
Al
3.00 · 20.0%
Ni
4.00 · 26.7%
Sn
1.00 · 6.7%
Os
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5901
eV/atom
Corrected total energy
-85.9270
eV
Raw total energy
-85.9270
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2382
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC3D4E6_5_spg187

Decomposition

Ho6Al3Ni4SnOs

Computed at

2025-02-04 06:40:50

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: agm010608024).

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 agm010608024
data_agm010608024
_cell_length_a     9.25877
_cell_length_b     9.25877
_cell_length_c     4.10471
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       304.73317
_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 0.68491 0.84246 0.00000 1.00000
  Ho2 Ho 0.15754 0.84246 0.00000 1.00000
  Ho3 Ho 0.15754 0.31509 0.00000 1.00000
  Ho4 Ho 0.41355 0.20678 0.50000 1.00000
  Ho5 Ho 0.79322 0.20678 0.50000 1.00000
  Ho6 Ho 0.79322 0.58645 0.50000 1.00000
  Al1 Al 0.13674 0.56837 0.50000 1.00000
  Al2 Al 0.43163 0.56837 0.50000 1.00000
  Al3 Al 0.43163 0.86326 0.50000 1.00000
  Ni1 Ni 0.33333 0.66667 0.00000 1.00000
  Ni2 Ni 0.97298 0.48649 0.00000 1.00000
  Ni3 Ni 0.51351 0.48649 0.00000 1.00000
  Ni4 Ni 0.51351 0.02702 0.00000 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
  Os1 Os 0.66667 0.33333 0.00000 1.00000
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