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Ho8Bi2Pd

Alexandria ALEX

Alex-ID: agm003533005 · Space group: C2/m (#12)

Basic Information

Formula
Ho8Bi2Pd
Alex-ID
agm003533005
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
315.69
ų
Cell a
5.1032
Å
Cell b
6.8369
Å
Cell c
9.4053
Å
α angle
88.25
°
β angle
105.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Bi2Pd
Ho
8.00 · 72.7%
Bi
2.00 · 18.2%
Pd
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0988
eV/atom
Formation energy
-0.4002
eV/atom
Corrected total energy
-53.9850
eV
Raw total energy
-53.9850
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0089
eV
DOS at Fermi level
12.5115
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C8_296_spg12

Decomposition

Ho3Pd Ho5Bi3 Ho

Computed at

2022-03-17 04:09:19.640237

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: agm003533005).

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 agm003533005
data_agm003533005
_cell_length_a     5.10319
_cell_length_b     6.83694
_cell_length_c     9.40530
_cell_angle_alpha  88.24649
_cell_angle_beta   105.74126
_cell_angle_gamma  90.00000
_cell_volume       315.68621
_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 0.40941 0.43029 0.81881 1.00000
  Ho2 Ho 0.64855 0.08691 0.29711 1.00000
  Ho3 Ho 0.78680 0.63512 0.57360 1.00000
  Ho4 Ho 0.02594 0.24207 0.05188 1.00000
  Ho5 Ho 0.21320 0.36488 0.42640 1.00000
  Ho6 Ho 0.35145 0.91309 0.70289 1.00000
  Ho7 Ho 0.59059 0.56971 0.18119 1.00000
  Ho8 Ho 0.97406 0.75793 0.94812 1.00000
  Bi1 Bi 0.82851 0.17515 0.65702 1.00000
  Bi2 Bi 0.17149 0.82485 0.34298 1.00000
  Pd1 Pd 0.50000 0.00000 0.00000 1.00000
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