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Ho4OsAu3

Alexandria ALEX

Alex-ID: agm005992859 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Ho4OsAu3
Alex-ID
agm005992859
Elements
3
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
176.75
ų
Cell a
3.4918
Å
Cell b
3.4918
Å
Cell c
14.4966
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4OsAu3
Au
3.00 · 37.5%
Os
1.00 · 12.5%
Ho
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0395
eV/atom
Formation energy
-0.7084
eV/atom
Corrected total energy
-45.0434
eV
Raw total energy
-45.0434
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2930
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_1146_spg123

Decomposition

Ho5OsAu2 HoOs2 HoAu

Computed at

2023-09-26 00:59:31.006629

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: agm005992859).

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 agm005992859
data_agm005992859
_cell_length_a     3.49180
_cell_length_b     3.49180
_cell_length_c     14.49657
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       176.75205
_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
  Au1 Au 0.50000 0.50000 0.24793 1.00000
  Au2 Au 0.50000 0.50000 0.50000 1.00000
  Au3 Au 0.50000 0.50000 0.75207 1.00000
  Os1 Os 0.50000 0.50000 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.88622 1.00000
  Ho2 Ho 0.00000 0.00000 0.11378 1.00000
  Ho3 Ho 0.00000 0.00000 0.37181 1.00000
  Ho4 Ho 0.00000 0.00000 0.62819 1.00000
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