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La2CeHoBi4

Alexandria ALEX

Alex-ID: agm004849331 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
La2CeHoBi4
Alex-ID
agm004849331
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
278.93
ų
Cell a
4.6245
Å
Cell b
7.9941
Å
Cell c
8.0027
Å
α angle
109.47
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2CeHoBi4
La
2.00 · 25.0%
Ce
1.00 · 12.5%
Ho
1.00 · 12.5%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0053
eV/atom
Formation energy
-0.9317
eV/atom
Corrected total energy
-43.3444
eV
Raw total energy
-43.3444
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0047
eV
DOS at Fermi level
6.8294
Total magnetisation
0.7769
μB

Additional Information

Prototype ID

ABC2D4_343_spg10

Decomposition

CeHo5Bi6 CeHoBi2 La4CeBi5

Computed at

2022-07-16 17:13:00.367043

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: agm004849331).

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 agm004849331
data_agm004849331
_cell_length_a     4.62455
_cell_length_b     7.99412
_cell_length_c     8.00275
_cell_angle_alpha  109.47471
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       278.92886
_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
  La1 La 0.50000 0.00000 0.50000 1.00000
  La2 La 0.00000 0.50000 0.50000 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Bi1 Bi 0.50000 0.25006 0.24064 1.00000
  Bi2 Bi 0.50000 0.74994 0.75936 1.00000
  Bi3 Bi 0.00000 0.25679 0.76165 1.00000
  Bi4 Bi 0.00000 0.74321 0.23835 1.00000
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