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Ho8Hg4Au

Alexandria ALEX

Alex-ID: agm097628006 · Space group: Pm (#6)

Basic Information

Formula
Ho8Hg4Au
Alex-ID
agm097628006
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
354.56
ų
Cell a
5.0134
Å
Cell b
7.6564
Å
Cell c
10.5980
Å
α angle
119.36
°
β angle
89.99
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Hg4Au
Ho
8.00 · 61.5%
Hg
4.00 · 30.8%
Au
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1010
eV/atom
Formation energy
-0.3446
eV/atom
Corrected total energy
-45.8293
eV
Raw total energy
-45.8293
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7459
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1199_spg1

Decomposition

Ho2Hg Ho2Au HoHg

Computed at

2025-06-16 03:13:29

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: agm097628006).

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 agm097628006
data_agm097628006
_cell_length_a     5.01344
_cell_length_b     7.65643
_cell_length_c     10.59796
_cell_angle_alpha  119.35728
_cell_angle_beta   89.99293
_cell_angle_gamma  90.00408
_cell_volume       354.56118
_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 0.26930 0.28141 0.39056 1.00000
  Ho2 Ho 0.26926 0.14599 0.86075 1.00000
  Ho3 Ho 0.26926 0.62748 0.24847 1.00000
  Ho4 Ho 0.26923 0.62669 0.89804 1.00000
  Ho5 Ho 0.76928 0.29346 0.15756 1.00000
  Ho6 Ho 0.76934 0.31920 0.63213 1.00000
  Ho7 Ho 0.76928 0.89214 0.20997 1.00000
  Ho8 Ho 0.76914 0.74233 0.51262 1.00000
  Hg1 Hg 0.76914 0.85252 0.86324 1.00000
  Hg2 Hg 0.26934 0.02994 0.53232 1.00000
  Hg3 Hg 0.76917 0.45491 0.95835 1.00000
  Hg4 Hg 0.26903 0.68926 0.64187 1.00000
  Au1 Au 0.26924 0.04467 0.09413 1.00000
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