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Ho4BiAu8

Alexandria ALEX

Alex-ID: agm097622641 · Space group: P1 (#1)

Basic Information

Formula
Ho4BiAu8
Alex-ID
agm097622641
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
301.65
ų
Cell a
4.9748
Å
Cell b
8.0826
Å
Cell c
9.1078
Å
α angle
56.01
°
β angle
91.94
°
γ angle
96.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4BiAu8
Ho
4.00 · 30.8%
Bi
1.00 · 7.7%
Au
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1481
eV/atom
Formation energy
-0.6555
eV/atom
Corrected total energy
-56.9353
eV
Raw total energy
-56.9353
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.7056
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1347_spg6

Decomposition

HoAu2 Bi

Computed at

2025-06-16 02:42:51

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: agm097622641).

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 agm097622641
data_agm097622641
_cell_length_a     4.97478
_cell_length_b     8.08262
_cell_length_c     9.10779
_cell_angle_alpha  56.00637
_cell_angle_beta   91.94258
_cell_angle_gamma  96.27365
_cell_volume       301.64794
_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 0.82963 0.02783 0.02619 1.00000
  Ho2 Ho 0.08019 0.50592 0.52745 1.00000
  Ho3 Ho 0.22489 0.44238 0.07041 1.00000
  Ho4 Ho 0.82356 0.96385 0.60273 1.00000
  Bi1 Bi 0.35472 0.08869 0.75694 1.00000
  Au1 Au 0.58416 0.39978 0.38989 1.00000
  Au2 Au 0.28050 0.75665 0.15117 1.00000
  Au3 Au 0.29579 0.72484 0.69131 1.00000
  Au4 Au 0.16686 0.98772 0.31532 1.00000
  Au5 Au 0.76968 0.67616 0.00767 1.00000
  Au6 Au 0.69649 0.20617 0.21959 1.00000
  Au7 Au 0.76320 0.46854 0.82227 1.00000
  Au8 Au 0.63033 0.75146 0.41906 1.00000
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