Navigation

HEAS Data Platform · Materials Science Database

Ho5GeBi3

Alexandria ALEX

Alex-ID: agm072448643 · Space group: Cm (#8)

Basic Information

Formula
Ho5GeBi3
Alex-ID
agm072448643
Elements
3
Sites
9
Space group
Cm (#8)
Crystal system
monoclinic
Volume
268.60
ų
Cell a
8.3803
Å
Cell b
8.3803
Å
Cell c
7.8331
Å
α angle
69.57
°
β angle
69.57
°
γ angle
31.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5GeBi3
Ho
5.00 · 55.6%
Ge
1.00 · 11.1%
Bi
3.00 · 33.3%

Energy & Stability

Energy above hull
0.1899
eV/atom
Formation energy
-0.6128
eV/atom
Corrected total energy
-44.6678
eV
Raw total energy
-44.6678
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0557
eV
DOS at Fermi level
5.5814
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C5_1179_spg12

Decomposition

Ho5(GeBi)2 Ho5Bi3 HoBi

Computed at

2024-09-24 10:38:22.081327

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: agm072448643).

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 agm072448643
data_agm072448643
_cell_length_a     8.38033
_cell_length_b     8.38033
_cell_length_c     7.83313
_cell_angle_alpha  69.57164
_cell_angle_beta   69.57164
_cell_angle_gamma  31.59729
_cell_volume       268.60142
_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 0.21565 0.21565 0.89580 1.00000
  Ho2 Ho 0.83923 0.83923 0.53774 1.00000
  Ho3 Ho 0.59860 0.59860 0.31224 1.00000
  Ho4 Ho 0.58844 0.58844 0.80664 1.00000
  Ho5 Ho 0.35714 0.35714 0.11851 1.00000
  Ge1 Ge 0.76916 0.76916 0.02008 1.00000
  Bi1 Bi 0.19329 0.19329 0.50311 1.00000
  Bi2 Bi 0.43401 0.43401 0.67252 1.00000
  Bi3 Bi 0.00434 0.00434 0.13329 1.00000
Get direct link