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Ho8GaAu2

Alexandria ALEX

Alex-ID: agm003530673 · Space group: C2/m (#12)

Basic Information

Formula
Ho8GaAu2
Alex-ID
agm003530673
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
296.34
ų
Cell a
5.0860
Å
Cell b
6.8674
Å
Cell c
9.2148
Å
α angle
106.01
°
β angle
106.02
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8GaAu2
Ho
8.00 · 72.7%
Ga
1.00 · 9.1%
Au
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0401
eV/atom
Formation energy
-0.4354
eV/atom
Corrected total energy
-51.0016
eV
Raw total energy
-51.0016
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0021
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Ho2Au Ho3Ga2 Ho

Computed at

2022-03-15 07:46:52.725737

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: agm003530673).

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 agm003530673
data_agm003530673
_cell_length_a     5.08599
_cell_length_b     6.86740
_cell_length_c     9.21484
_cell_angle_alpha  106.01396
_cell_angle_beta   106.01967
_cell_angle_gamma  90.00000
_cell_volume       296.33715
_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 0.40751 0.54251 0.81501 1.00000
  Ho2 Ho 0.66791 0.97511 0.33581 1.00000
  Ho3 Ho 0.80096 0.68134 0.60193 1.00000
  Ho4 Ho 0.97087 0.21994 0.94174 1.00000
  Ho5 Ho 0.19904 0.31866 0.39807 1.00000
  Ho6 Ho 0.33209 0.02489 0.66419 1.00000
  Ho7 Ho 0.59249 0.45749 0.18499 1.00000
  Ho8 Ho 0.02913 0.78006 0.05826 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
  Au1 Au 0.81650 0.27838 0.63300 1.00000
  Au2 Au 0.18350 0.72162 0.36700 1.00000
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