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Ce4HoBi5

Alexandria ALEX

Alex-ID: agm057237785 · Space group: Immm (#71)

Basic Information

Formula
Ce4HoBi5
Alex-ID
agm057237785
Elements
3
Sites
10
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
338.54
ų
Cell a
12.0992
Å
Cell b
12.0992
Å
Cell c
12.0992
Å
α angle
158.21
°
β angle
148.96
°
γ angle
38.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce4HoBi5
Ce
4.00 · 40.0%
Ho
1.00 · 10.0%
Bi
5.00 · 50.0%

Energy & Stability

Energy above hull
0.0040
eV/atom
Formation energy
-0.7962
eV/atom
Corrected total energy
-55.6808
eV
Raw total energy
-55.6808
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
26.0154
Total magnetisation
3.4996
μB

Additional Information

Prototype ID

AB4C5_34_spg71

Decomposition

CeHoBi2 CeBi

Computed at

2024-12-26 07:50:09

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: agm057237785).

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 agm057237785
data_agm057237785
_cell_length_a     12.09918
_cell_length_b     12.09918
_cell_length_c     12.09918
_cell_angle_alpha  158.20843
_cell_angle_beta   148.96210
_cell_angle_gamma  38.24537
_cell_volume       338.53869
_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
  Ce1 Ce 0.90040 0.90040 0.00000 1.00000
  Ce2 Ce 0.30188 0.30188 0.00000 1.00000
  Ce3 Ce 0.69812 0.69812 0.00000 1.00000
  Ce4 Ce 0.09960 0.09960 0.00000 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Bi1 Bi 0.59696 0.09696 0.50000 1.00000
  Bi2 Bi 0.79960 0.29960 0.50000 1.00000
  Bi3 Bi 0.20040 0.70040 0.50000 1.00000
  Bi4 Bi 0.00000 0.50000 0.50000 1.00000
  Bi5 Bi 0.40304 0.90304 0.50000 1.00000
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