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Ho5Ga4(Si2Au)2

Alexandria ALEX

Alex-ID: agm009587809 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Ho5Ga4(Si2Au)2
Alex-ID
agm009587809
Elements
4
Sites
15
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
303.01
ų
Cell a
18.3669
Å
Cell b
18.3669
Å
Cell c
3.9499
Å
α angle
90.00
°
β angle
90.00
°
γ angle
166.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Ga4(Si2Au)2
Ho
5.00 · 33.3%
Ga
4.00 · 26.7%
Si
4.00 · 26.7%
Au
2.00 · 13.3%

Energy & Stability

Energy above hull
0.0330
eV/atom
Formation energy
-0.6841
eV/atom
Corrected total energy
-73.5186
eV
Raw total energy
-73.5186
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9997
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C4D5_0_spg38

Decomposition

HoGa2 Ho2Si3Au HoGaAu

Computed at

2024-04-19 20:00:48.573407

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: agm009587809).

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 agm009587809
data_agm009587809
_cell_length_a     18.36687
_cell_length_b     18.36687
_cell_length_c     3.94990
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  166.85549
_cell_volume       303.01366
_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 0.99383 0.00617 0.00000 1.00000
  Ho2 Ho 0.60183 0.39817 0.00000 1.00000
  Ho3 Ho 0.20492 0.79508 0.00000 1.00000
  Ho4 Ho 0.80090 0.19910 0.00000 1.00000
  Ho5 Ho 0.39731 0.60269 0.00000 1.00000
  Ga1 Ga 0.26830 0.73170 0.50000 1.00000
  Ga2 Ga 0.86516 0.13484 0.50000 1.00000
  Ga3 Ga 0.46327 0.53673 0.50000 1.00000
  Ga4 Ga 0.53093 0.46907 0.50000 1.00000
  Si1 Si 0.13566 0.86434 0.50000 1.00000
  Si2 Si 0.73607 0.26393 0.50000 1.00000
  Si3 Si 0.33382 0.66618 0.50000 1.00000
  Si4 Si 0.93083 0.06917 0.50000 1.00000
  Au1 Au 0.06851 0.93149 0.50000 1.00000
  Au2 Au 0.66917 0.33083 0.50000 1.00000
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