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YHo7Bi8

Alexandria ALEX

Alex-ID: agm053741069 · Space group: Fm-3m (#225)

Basic Information

Formula
YHo7Bi8
Alex-ID
agm053741069
Elements
3
Sites
16
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
503.47
ų
Cell a
8.9295
Å
Cell b
8.9295
Å
Cell c
8.9295
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo7Bi8
Y
1.00 · 6.3%
Ho
7.00 · 43.8%
Bi
8.00 · 50.0%

Energy & Stability

Energy above hull
0.0031
eV/atom
Formation energy
-0.8428
eV/atom
Corrected total energy
-83.0449
eV
Raw total energy
-83.0449
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.1727
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C8_4_spg225

Decomposition

YHo3Bi4 HoBi

Computed at

2024-12-04 17:38:35

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: agm053741069).

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 agm053741069
data_agm053741069
_cell_length_a     8.92953
_cell_length_b     8.92953
_cell_length_c     8.92953
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       503.46722
_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
  Y1 Y 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.50000 0.50000 0.50000 1.00000
  Ho2 Ho 0.50000 0.00000 0.00000 1.00000
  Ho3 Ho 0.50000 0.50000 0.00000 1.00000
  Ho4 Ho 0.50000 0.00000 0.50000 1.00000
  Ho5 Ho 0.00000 0.00000 0.50000 1.00000
  Ho6 Ho 0.00000 0.50000 0.00000 1.00000
  Ho7 Ho 0.00000 0.50000 0.50000 1.00000
  Bi1 Bi 0.25062 0.74938 0.25062 1.00000
  Bi2 Bi 0.25062 0.25062 0.74938 1.00000
  Bi3 Bi 0.75000 0.75000 0.75000 1.00000
  Bi4 Bi 0.25062 0.74938 0.74938 1.00000
  Bi5 Bi 0.74938 0.25062 0.25062 1.00000
  Bi6 Bi 0.25000 0.25000 0.25000 1.00000
  Bi7 Bi 0.74938 0.74938 0.25062 1.00000
  Bi8 Bi 0.74938 0.25062 0.74938 1.00000
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