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La4CoBi2

Alexandria ALEX

Alex-ID: agm003449333 · Space group: P2_1/m (#11)

Basic Information

Formula
La4CoBi2
Alex-ID
agm003449333
Elements
3
Sites
14
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
449.54
ų
Cell a
6.9148
Å
Cell b
6.9518
Å
Cell c
10.0180
Å
α angle
90.00
°
β angle
111.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4CoBi2
La
8.00 · 57.1%
Co
2.00 · 14.3%
Bi
4.00 · 28.6%

Energy & Stability

Energy above hull
0.0694
eV/atom
Formation energy
-0.6208
eV/atom
Corrected total energy
-77.8818
eV
Raw total energy
-77.8818
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9002
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_1118_spg11

Decomposition

La3CoBi LaBi

Computed at

2022-02-16 23:56:00.976461

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: agm003449333).

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 agm003449333
data_agm003449333
_cell_length_a     6.91482
_cell_length_b     6.95177
_cell_length_c     10.01799
_cell_angle_alpha  90.00000
_cell_angle_beta   111.01469
_cell_angle_gamma  90.00000
_cell_volume       449.53699
_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 0.47607 0.49595 0.24179 1.00000
  La2 La 0.08776 0.75000 0.89881 1.00000
  La3 La 0.91224 0.25000 0.10119 1.00000
  La4 La 0.47607 0.00405 0.24179 1.00000
  La5 La 0.88488 0.25000 0.59739 1.00000
  La6 La 0.52393 0.99595 0.75821 1.00000
  La7 La 0.52393 0.50405 0.75821 1.00000
  La8 La 0.11512 0.75000 0.40261 1.00000
  Co1 Co 0.16661 0.75000 0.17142 1.00000
  Co2 Co 0.83339 0.25000 0.82858 1.00000
  Bi1 Bi 0.73849 0.75000 0.06847 1.00000
  Bi2 Bi 0.26151 0.25000 0.93153 1.00000
  Bi3 Bi 0.26394 0.25000 0.44906 1.00000
  Bi4 Bi 0.73606 0.75000 0.55094 1.00000
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