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Ho4ZnAu8

Alexandria ALEX

Alex-ID: agm097587342 · Space group: Cmmm (#65)

Basic Information

Formula
Ho4ZnAu8
Alex-ID
agm097587342
Elements
3
Sites
13
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
278.37
ų
Cell a
3.7682
Å
Cell b
8.8032
Å
Cell c
9.4748
Å
α angle
62.34
°
β angle
90.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4ZnAu8
Ho
4.00 · 30.8%
Zn
1.00 · 7.7%
Au
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1270
eV/atom
Formation energy
-0.6821
eV/atom
Corrected total energy
-54.6787
eV
Raw total energy
-54.6787
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0448
eV
DOS at Fermi level
6.4609
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1733_spg38

Decomposition

HoZn3Au2 HoAu2

Computed at

2025-06-20 00:08:48

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: agm097587342).

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 agm097587342
data_agm097587342
_cell_length_a     3.76815
_cell_length_b     8.80317
_cell_length_c     9.47475
_cell_angle_alpha  62.33643
_cell_angle_beta   90.00503
_cell_angle_gamma  90.00099
_cell_volume       278.36645
_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 0.00001 0.05456 0.00031 1.00000
  Ho2 Ho 0.00003 0.48362 0.99972 1.00000
  Ho3 Ho 0.99992 0.49182 0.55530 1.00000
  Ho4 Ho 0.00012 0.04702 0.44471 1.00000
  Zn1 Zn 0.49998 0.76867 0.99996 1.00000
  Au1 Au 0.50007 0.18538 0.16747 1.00000
  Au2 Au 0.00000 0.66537 0.20843 1.00000
  Au3 Au 0.49995 0.71381 0.66670 1.00000
  Au4 Au 0.50000 0.15870 0.66503 1.00000
  Au5 Au 0.50003 0.82404 0.33482 1.00000
  Au6 Au 0.49996 0.38069 0.33345 1.00000
  Au7 Au 0.49997 0.35248 0.83255 1.00000
  Au8 Au 0.99996 0.87385 0.79155 1.00000
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