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HoAlOs

Alexandria ALEX

Alex-ID: agm005601366 · Space group: Imma (#74)

Alexandria Database API

Basic Information

Formula
HoAlOs
Alex-ID
agm005601366
Elements
3
Sites
6
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
109.80
ų
Cell a
5.3391
Å
Cell b
5.3391
Å
Cell c
5.3391
Å
α angle
92.46
°
β angle
118.62
°
γ angle
118.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoAlOs
Ho
2.00 · 33.3%
Al
2.00 · 33.3%
Os
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0145
eV/atom
Formation energy
-0.4925
eV/atom
Corrected total energy
-42.0627
eV
Raw total energy
-42.0627
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0434
eV
DOS at Fermi level
4.9234
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_63_spg74

Decomposition

Ho2Al3Os HoOs2

Computed at

2023-06-16 20:31:18.948080

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: agm005601366).

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 agm005601366
data_agm005601366
_cell_length_a     5.33905
_cell_length_b     5.33905
_cell_length_c     5.33905
_cell_angle_alpha  92.45803
_cell_angle_beta   118.61991
_cell_angle_gamma  118.56240
_cell_volume       109.79846
_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 0.25000 0.11576 0.86576 1.00000
  Ho2 Ho 0.75000 0.88424 0.13424 1.00000
  Al1 Al 0.50000 0.50000 0.50000 1.00000
  Al2 Al 0.00000 0.50000 0.00000 1.00000
  Os1 Os 0.00000 0.50000 0.50000 1.00000
  Os2 Os 0.50000 0.00000 0.50000 1.00000
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